N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide

C17H21N3O2 — CID 790507

IUPACN-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NN=C1CCCCC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H21N3O2/c21-16-10-5-11-20(16)15-9-4-6-13(12-15)17(22)19-18-14-7-2-1-3-8-14/h4,6,9,12H,1-3,5,7-8,10-11H2,(H,19,22)
InChIKeyBSLRLFWPQWSSKW-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds3

About N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 790507) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID790507
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NN=C1CCCCC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H21N3O2/c21-16-10-5-11-20(16)15-9-4-6-13(12-15)17(22)19-18-14-7-2-1-3-8-14/h4,6,9,12H,1-3,5,7-8,10-11H2,(H,19,22)
InChIKeyBSLRLFWPQWSSKW-UHFFFAOYSA-N
XLogP2.86
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 790507) is N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NN=C1CCCCC1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is BSLRLFWPQWSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-10-5-11-20(16)15-9-4-6-13(12-15)17(22)19-18-14-7-2-1-3-8-14/h4,6,9,12H,1-3,5,7-8,10-11H2,(H,19,22).
What are the key properties of N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 790507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).