(2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide

C14H28N2O2 — CID 55086897

IUPAC(2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
SMILESCC1CCCC(CO)(NC(=O)[C@@H](N)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-10-6-5-7-14(8-10,9-17)16-12(18)11(15)13(2,3)4/h10-11,17H,5-9,15H2,1-4H3,(H,16,18)/t10?,11-,14?/m1/s1
InChIKeyMWFGFHXNTWTCBI-IQLKVPPVSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds3

About (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide (PubChem CID 55086897) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
PubChem CID55086897
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
SMILESCC1CCCC(CO)(NC(=O)[C@@H](N)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-10-6-5-7-14(8-10,9-17)16-12(18)11(15)13(2,3)4/h10-11,17H,5-9,15H2,1-4H3,(H,16,18)/t10?,11-,14?/m1/s1
InChIKeyMWFGFHXNTWTCBI-IQLKVPPVSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide 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-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide (CID 55086897) is (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide is CC1CCCC(CO)(NC(=O)[C@@H](N)C(C)(C)C)C1.
What is the InChIKey of (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide?
The InChIKey is MWFGFHXNTWTCBI-IQLKVPPVSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10-6-5-7-14(8-10,9-17)16-12(18)11(15)13(2,3)4/h10-11,17H,5-9,15H2,1-4H3,(H,16,18)/t10?,11-,14?/m1/s1.
What are the key properties of (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 55086897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).