N-(oxan-4-ylmethyl)cyclohexanecarboxamide

C13H23NO2 — CID 110736353

IUPACN-(oxan-4-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H23NO2/c15-13(12-4-2-1-3-5-12)14-10-11-6-8-16-9-7-11/h11-12H,1-10H2,(H,14,15)
InChIKeyNDSINLSTADAIAO-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds3

About N-(oxan-4-ylmethyl)cyclohexanecarboxamide

N-(oxan-4-ylmethyl)cyclohexanecarboxamide (PubChem CID 110736353) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)cyclohexanecarboxamide
PubChem CID110736353
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(oxan-4-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H23NO2/c15-13(12-4-2-1-3-5-12)14-10-11-6-8-16-9-7-11/h11-12H,1-10H2,(H,14,15)
InChIKeyNDSINLSTADAIAO-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)cyclohexanecarboxamide (CID 110736353) is N-(oxan-4-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)cyclohexanecarboxamide is O=C(NCC1CCOCC1)C1CCCCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)cyclohexanecarboxamide?
The InChIKey is NDSINLSTADAIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(12-4-2-1-3-5-12)14-10-11-6-8-16-9-7-11/h11-12H,1-10H2,(H,14,15).
What are the key properties of N-(oxan-4-ylmethyl)cyclohexanecarboxamide?
N-(oxan-4-ylmethyl)cyclohexanecarboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 110736353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).