(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide

C15H28N2O2 — CID 42578187

IUPAC(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)CCC1CCCCC1)C(N)=O
InChIInChI=1S/C15H28N2O2/c1-11(2)10-13(15(16)19)17-14(18)9-8-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H2,16,19)(H,17,18)/t13-/m0/s1
InChIKeyGPXFEEWREKSBLY-ZDUSSCGKSA-N
MW268.40 g/mol
LogP2.36
Rot. Bonds7

About (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide

(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide (PubChem CID 42578187) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide
PubChem CID42578187
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)CCC1CCCCC1)C(N)=O
InChIInChI=1S/C15H28N2O2/c1-11(2)10-13(15(16)19)17-14(18)9-8-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H2,16,19)(H,17,18)/t13-/m0/s1
InChIKeyGPXFEEWREKSBLY-ZDUSSCGKSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide 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 (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide?
The IUPAC name of (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide (CID 42578187) is (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide?
The canonical SMILES for (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide is CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(N)=O.
What is the InChIKey of (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide?
The InChIKey is GPXFEEWREKSBLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)10-13(15(16)19)17-14(18)9-8-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H2,16,19)(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide?
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide is sourced from PubChem (CID 42578187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).