1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C17H22N2O2 — CID 2883505

IUPAC1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=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)
InChIKeyBVUSHGJZBZMDML-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.81
Rot. Bonds3

About 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 2883505) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID2883505
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=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)
InChIKeyBVUSHGJZBZMDML-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 2883505) is 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccccc1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is BVUSHGJZBZMDML-UHFFFAOYSA-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).
What are the key properties of 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
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 1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2883505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).