N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide

C14H22N2O2 — CID 144828396

IUPACN-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide
SMILESN#C[C@H](NC(=O)C1CCCCC1)C1CCOCC1
InChIInChI=1S/C14H22N2O2/c15-10-13(11-6-8-18-9-7-11)16-14(17)12-4-2-1-3-5-12/h11-13H,1-9H2,(H,16,17)/t13-/m0/s1
InChIKeyHPRAAKYOGYRTIA-ZDUSSCGKSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds3

About N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide

N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 144828396) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide
PubChem CID144828396
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide
SMILESN#C[C@H](NC(=O)C1CCCCC1)C1CCOCC1
InChIInChI=1S/C14H22N2O2/c15-10-13(11-6-8-18-9-7-11)16-14(17)12-4-2-1-3-5-12/h11-13H,1-9H2,(H,16,17)/t13-/m0/s1
InChIKeyHPRAAKYOGYRTIA-ZDUSSCGKSA-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-[(R)-cyano(oxan-4-yl)methyl]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-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide (CID 144828396) is N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide is N#C[C@H](NC(=O)C1CCCCC1)C1CCOCC1.
What is the InChIKey of N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is HPRAAKYOGYRTIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-10-13(11-6-8-18-9-7-11)16-14(17)12-4-2-1-3-5-12/h11-13H,1-9H2,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide?
N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide 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-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 144828396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).