(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C17H22N2O2 — CID 2266114

IUPAC(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1
InChIKeyBVUSHGJZBZMDML-ZDUSSCGKSA-N
MW286.37 g/mol
LogP2.81
Rot. Bonds3

About (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 2266114) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID2266114
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1
InChIKeyBVUSHGJZBZMDML-ZDUSSCGKSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618
1-cycloheptyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113185547

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 2266114) is (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccccc1)[C@H]1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is BVUSHGJZBZMDML-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1.
What are the key properties of (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2266114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).