(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C25H23N3O4 — CID 34909716

IUPAC(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H23N3O4/c1-32-22-14-8-7-13-21(22)27-25(31)19-11-5-6-12-20(19)26-24(30)17-15-23(29)28(16-17)18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,30)(H,27,31)/t17-/m0/s1
InChIKeyJJUKQTIASWHTIG-KRWDZBQOSA-N
MW429.48 g/mol
LogP3.94
Rot. Bonds6

About (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 34909716) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID34909716
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H23N3O4/c1-32-22-14-8-7-13-21(22)27-25(31)19-11-5-6-12-20(19)26-24(30)17-15-23(29)28(16-17)18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,30)(H,27,31)/t17-/m0/s1
InChIKeyJJUKQTIASWHTIG-KRWDZBQOSA-N
XLogP3.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153822
(3R)-1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109940
(3R)-1-(4-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965794
(3R)-1-(4-methoxyphenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40822829
N-(2-methoxyphenyl)-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189902
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40977882
(3S)-1-(3-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727131
methyl 4,5-dimethoxy-2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoate
CID 46687125
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
(3R)-N-[2-(benzylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006938
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 992776

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 34909716) is (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is JJUKQTIASWHTIG-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-32-22-14-8-7-13-21(22)27-25(31)19-11-5-6-12-20(19)26-24(30)17-15-23(29)28(16-17)18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,30)(H,27,31)/t17-/m0/s1.
What are the key properties of (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 34909716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).