(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C23H22N2O3 — CID 129369988

IUPAC(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC[C@H](O)c1cccc2ccccc12)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H22N2O3/c26-21(20-12-6-8-16-7-4-5-11-19(16)20)14-24-23(28)17-13-22(27)25(15-17)18-9-2-1-3-10-18/h1-12,17,21,26H,13-15H2,(H,24,28)/t17-,21-/m0/s1
InChIKeySEGXRQIPIZFNBM-UWJYYQICSA-N
MW374.44 g/mol
LogP3.04
Rot. Bonds5

About (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 129369988) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID129369988
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC[C@H](O)c1cccc2ccccc12)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H22N2O3/c26-21(20-12-6-8-16-7-4-5-11-19(16)20)14-24-23(28)17-13-22(27)25(15-17)18-9-2-1-3-10-18/h1-12,17,21,26H,13-15H2,(H,24,28)/t17-,21-/m0/s1
InChIKeySEGXRQIPIZFNBM-UWJYYQICSA-N
XLogP3.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129369987
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
N-(3-hydroxy-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90499575
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60591540
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90578157
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 129369988) is (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NC[C@H](O)c1cccc2ccccc12)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is SEGXRQIPIZFNBM-UWJYYQICSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-21(20-12-6-8-16-7-4-5-11-19(16)20)14-24-23(28)17-13-22(27)25(15-17)18-9-2-1-3-10-18/h1-12,17,21,26H,13-15H2,(H,24,28)/t17-,21-/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 129369988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).