1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide

C14H22N2O3 — CID 104708953

IUPAC1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C#N)CCCCC2)CCOC1
InChIInChI=1S/C14H22N2O3/c1-18-14(7-8-19-11-14)10-16-12(17)13(9-15)5-3-2-4-6-13/h2-8,10-11H2,1H3,(H,16,17)
InChIKeyJLZHKWLNTJBYBT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.38
Rot. Bonds4

About 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide

1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 104708953) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID104708953
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C#N)CCCCC2)CCOC1
InChIInChI=1S/C14H22N2O3/c1-18-14(7-8-19-11-14)10-16-12(17)13(9-15)5-3-2-4-6-13/h2-8,10-11H2,1H3,(H,16,17)
InChIKeyJLZHKWLNTJBYBT-UHFFFAOYSA-N
XLogP1.38
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-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 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide (CID 104708953) is 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide is COC1(CNC(=O)C2(C#N)CCCCC2)CCOC1.
What is the InChIKey of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is JLZHKWLNTJBYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-14(7-8-19-11-14)10-16-12(17)13(9-15)5-3-2-4-6-13/h2-8,10-11H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide?
1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 104708953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).