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

C24H27N3O3 — CID 992776

IUPAC(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H27N3O3/c28-22-15-17(16-27(22)19-11-5-2-6-12-19)23(29)26-21-14-8-7-13-20(21)24(30)25-18-9-3-1-4-10-18/h2,5-8,11-14,17-18H,1,3-4,9-10,15-16H2,(H,25,30)(H,26,29)/t17-/m0/s1
InChIKeyUTLUGJQOZJYJFS-KRWDZBQOSA-N
MW405.50 g/mol
LogP3.74
Rot. Bonds5

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

(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 992776) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID992776
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H27N3O3/c28-22-15-17(16-27(22)19-11-5-2-6-12-19)23(29)26-21-14-8-7-13-20(21)24(30)25-18-9-3-1-4-10-18/h2,5-8,11-14,17-18H,1,3-4,9-10,15-16H2,(H,25,30)(H,26,29)/t17-/m0/s1
InChIKeyUTLUGJQOZJYJFS-KRWDZBQOSA-N
XLogP3.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 992778
(3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26905657
(3S)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 7477639
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30844050
(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084194
(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41066253
(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 9350768
(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 34909716
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373789
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55870262
1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120224

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 992776) is (3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is UTLUGJQOZJYJFS-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-22-15-17(16-27(22)19-11-5-2-6-12-19)23(29)26-21-14-8-7-13-20(21)24(30)25-18-9-3-1-4-10-18/h2,5-8,11-14,17-18H,1,3-4,9-10,15-16H2,(H,25,30)(H,26,29)/t17-/m0/s1.
What are the key properties of (3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 992776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).