AI32498
136329-30-1 | tert-Butyl n-[2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI32498
ChemicalName
tert-Butyl n-[2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]carbamate
CasNumber
136329-30-1
MolecularFormula
C17H24N2O3
MolecularWeight
304.3841
MdlNumber
MFCD24393226
Smiles
O=C(OC(C)(C)C)NC(C(=O)N1CCCC1)c1ccccc1
Complexity
391
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.6
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CatalogNumber: AI32498
ChemicalName: tert-Butyl n-[2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]carbamate
CasNumber: 136329-30-1
MolecularFormula: C17H24N2O3
MolecularWeight: 304.3841
MdlNumber: MFCD24393226
Smiles: O=C(OC(C)(C)C)NC(C(=O)N1CCCC1)c1ccccc1
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AI32498
ChemicalName:
tert-Butyl n-[2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]carbamate
CasNumber:
136329-30-1
MolecularFormula:
C17H24N2O3
MolecularWeight:
304.3841
MdlNumber:
MFCD24393226
Smiles:
O=C(OC(C)(C)C)NC(C(=O)N1CCCC1)c1ccccc1
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.6
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Smiles: O=C1N(C)C[C@@H]2[C@H]1CNCC2
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Smiles:
O=C1N(C)C[C@@H]2[C@H]1CNCC2
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Smiles: CN1CC[C@@H]1CN
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Smiles:
CN1CC[C@@H]1CN
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: O=C(OC(C)(C)C)N[C@H]1CNC[C@@H](C1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@H]1CNC[C@@H](C1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__