N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide

C13H18N2O2 — CID 166448604

IUPACN-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide
SMILESCC(C)(C(=O)NC1CC1)N1C=CC=CCC1=O
InChIInChI=1S/C13H18N2O2/c1-13(2,12(17)14-10-7-8-10)15-9-5-3-4-6-11(15)16/h3-5,9-10H,6-8H2,1-2H3,(H,14,17)
InChIKeyVACXPEPYKPANAA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.35
Rot. Bonds3

About N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide

N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide (PubChem CID 166448604) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide
PubChem CID166448604
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide
SMILESCC(C)(C(=O)NC1CC1)N1C=CC=CCC1=O
InChIInChI=1S/C13H18N2O2/c1-13(2,12(17)14-10-7-8-10)15-9-5-3-4-6-11(15)16/h3-5,9-10H,6-8H2,1-2H3,(H,14,17)
InChIKeyVACXPEPYKPANAA-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide 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-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide (CID 166448604) is N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide is CC(C)(C(=O)NC1CC1)N1C=CC=CCC1=O.
What is the InChIKey of N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide?
The InChIKey is VACXPEPYKPANAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,12(17)14-10-7-8-10)15-9-5-3-4-6-11(15)16/h3-5,9-10H,6-8H2,1-2H3,(H,14,17).
What are the key properties of N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide?
N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-2-(2-oxo-3H-azepin-1-yl)propanamide is sourced from PubChem (CID 166448604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).