N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide

C14H22N2O2 — CID 55151247

IUPACN-[cyano(cyclohexyl)methyl]oxane-3-carboxamide
SMILESN#CC(NC(=O)C1CCCOC1)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c15-9-13(11-5-2-1-3-6-11)16-14(17)12-7-4-8-18-10-12/h11-13H,1-8,10H2,(H,16,17)
InChIKeyRNGYYJUCOHPFLR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds3

About N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide

N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide (PubChem CID 55151247) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]oxane-3-carboxamide
PubChem CID55151247
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[cyano(cyclohexyl)methyl]oxane-3-carboxamide
SMILESN#CC(NC(=O)C1CCCOC1)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c15-9-13(11-5-2-1-3-6-11)16-14(17)12-7-4-8-18-10-12/h11-13H,1-8,10H2,(H,16,17)
InChIKeyRNGYYJUCOHPFLR-UHFFFAOYSA-N
XLogP2.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyano(cyclohexyl)methyl]oxane-3-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-[cyano(cyclohexyl)methyl]oxane-3-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide (CID 55151247) is N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide is N#CC(NC(=O)C1CCCOC1)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide?
The InChIKey is RNGYYJUCOHPFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-9-13(11-5-2-1-3-6-11)16-14(17)12-7-4-8-18-10-12/h11-13H,1-8,10H2,(H,16,17).
What are the key properties of N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide?
N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 55151247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).