AD75910
111-58-0 | (9Z)-N-(2-hydroxyethyl)octadec-9-enamide
Manufacturer: A2B Chem
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CatalogNumber
AD75910
ChemicalName
(9Z)-N-(2-hydroxyethyl)octadec-9-enamide
CasNumber
111-58-0
MolecularFormula
C20H39NO2
MolecularWeight
325.5292
MdlNumber
MFCD00045972
Smiles
CCCCCCCCC=CCCCCCCCC(=O)NCCO
Complexity
277
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
17
Xlogp3
6.3
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CatalogNumber: AD75910
ChemicalName: (9Z)-N-(2-hydroxyethyl)octadec-9-enamide
CasNumber: 111-58-0
MolecularFormula: C20H39NO2
MolecularWeight: 325.5292
MdlNumber: MFCD00045972
Smiles: CCCCCCCCC=CCCCCCCCC(=O)NCCO
Complexity: 277
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 17
Xlogp3: 6.3
CatalogNumber:
AD75910
ChemicalName:
(9Z)-N-(2-hydroxyethyl)octadec-9-enamide
CasNumber:
111-58-0
MolecularFormula:
C20H39NO2
MolecularWeight:
325.5292
MdlNumber:
MFCD00045972
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)NCCO
Complexity:
277
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
17
Xlogp3:
6.3
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Smiles: O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N
Complexity: __
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Smiles:
O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C1C=Cc2n1cnc2
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MolecularWeight:
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Smiles:
O=C1C=Cc2n1cnc2
Complexity:
__
Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: O=Cc1ccc(cc1)OCCOCCOCCOc1ccc(cc1)C=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc(cc1)OCCOCCOCCOc1ccc(cc1)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__