N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide

C13H22N2O2 — CID 11543222

IUPACN-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)C1CCCCC1
InChIInChI=1S/C13H22N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h10-11H,1-9H2,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyBBMGDVJZFDPDPH-NSHDSACASA-N
MW238.33 g/mol
LogP1.35
Rot. Bonds2

About N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide

N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide (PubChem CID 11543222) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide
PubChem CID11543222
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)C1CCCCC1
InChIInChI=1S/C13H22N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h10-11H,1-9H2,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyBBMGDVJZFDPDPH-NSHDSACASA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide 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-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide (CID 11543222) is N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide is O=C(N[C@H]1CCCCNC1=O)C1CCCCC1.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide?
The InChIKey is BBMGDVJZFDPDPH-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12(10-6-2-1-3-7-10)15-11-8-4-5-9-14-13(11)17/h10-11H,1-9H2,(H,14,17)(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide?
N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 11543222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).