N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide

C12H20N2O2 — CID 62589306

IUPACN-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C12H20N2O2/c1-10-3-6-12(9-13,7-4-10)14-11(15)5-8-16-2/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyJNIJRPPCDJZGAB-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.61
Rot. Bonds4

About N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide

N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide (PubChem CID 62589306) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide
PubChem CID62589306
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C12H20N2O2/c1-10-3-6-12(9-13,7-4-10)14-11(15)5-8-16-2/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyJNIJRPPCDJZGAB-UHFFFAOYSA-N
XLogP1.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide (CID 62589306) is N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide is COCCC(=O)NC1(C#N)CCC(C)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide?
The InChIKey is JNIJRPPCDJZGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-3-6-12(9-13,7-4-10)14-11(15)5-8-16-2/h10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide?
N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide has a molecular weight of 224.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-3-methoxypropanamide is sourced from PubChem (CID 62589306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).