N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide

C15H26N2O2 — CID 110196347

IUPACN-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide
SMILESCC1(C(=O)NCC2CCCCC2)CCCCC(=O)N1
InChIInChI=1S/C15H26N2O2/c1-15(10-6-5-9-13(18)17-15)14(19)16-11-12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyLPSRKXGJKPZCGE-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.13
Rot. Bonds3

About N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide

N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide (PubChem CID 110196347) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide
PubChem CID110196347
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide
SMILESCC1(C(=O)NCC2CCCCC2)CCCCC(=O)N1
InChIInChI=1S/C15H26N2O2/c1-15(10-6-5-9-13(18)17-15)14(19)16-11-12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyLPSRKXGJKPZCGE-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide 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-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide (CID 110196347) is N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide is CC1(C(=O)NCC2CCCCC2)CCCCC(=O)N1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide?
The InChIKey is LPSRKXGJKPZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(10-6-5-9-13(18)17-15)14(19)16-11-12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide?
N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).