N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide

C13H22N2O2 — CID 110196288

IUPACN-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NC1CCCC1
InChIInChI=1S/C13H22N2O2/c1-15-11(8-4-5-9-12(15)16)13(17)14-10-6-2-3-7-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyOUKFOEXWBUCPFL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds2

About N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide

N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide (PubChem CID 110196288) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide
PubChem CID110196288
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NC1CCCC1
InChIInChI=1S/C13H22N2O2/c1-15-11(8-4-5-9-12(15)16)13(17)14-10-6-2-3-7-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyOUKFOEXWBUCPFL-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-1-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-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide (CID 110196288) is N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide is CN1C(=O)CCCCC1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide?
The InChIKey is OUKFOEXWBUCPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15-11(8-4-5-9-12(15)16)13(17)14-10-6-2-3-7-10/h10-11H,2-9H2,1H3,(H,14,17).
What are the key properties of N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide?
N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).