N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide

C15H26N2O2 — CID 95628214

IUPACN-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide
SMILESCOCCCCC(=O)N[C@@](C)(C#N)C1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-15(12-16,13-8-4-3-5-9-13)17-14(18)10-6-7-11-19-2/h13H,3-11H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyCUEABMJEWJYPPA-HNNXBMFYSA-N
MW266.38 g/mol
LogP2.78
Rot. Bonds7

About N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide

N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide (PubChem CID 95628214) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide
PubChem CID95628214
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide
SMILESCOCCCCC(=O)N[C@@](C)(C#N)C1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-15(12-16,13-8-4-3-5-9-13)17-14(18)10-6-7-11-19-2/h13H,3-11H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyCUEABMJEWJYPPA-HNNXBMFYSA-N
XLogP2.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide 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-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide (CID 95628214) is N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide is COCCCCC(=O)N[C@@](C)(C#N)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide?
The InChIKey is CUEABMJEWJYPPA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(12-16,13-8-4-3-5-9-13)17-14(18)10-6-7-11-19-2/h13H,3-11H2,1-2H3,(H,17,18)/t15-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide?
N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide has a molecular weight of 266.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclohexylethyl]-5-methoxypentanamide is sourced from PubChem (CID 95628214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).