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

C14H28N2O2 — CID 119801889

IUPAC(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
SMILESCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11(15)12(18)16-9-14(4)8-6-5-7-10(14)17/h10-11,17H,5-9,15H2,1-4H3,(H,16,18)/t10?,11-,14?/m1/s1
InChIKeyYMULHNJVPYPQBT-IQLKVPPVSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds3

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

(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide (PubChem CID 119801889) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
PubChem CID119801889
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
SMILESCC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11(15)12(18)16-9-14(4)8-6-5-7-10(14)17/h10-11,17H,5-9,15H2,1-4H3,(H,16,18)/t10?,11-,14?/m1/s1
InChIKeyYMULHNJVPYPQBT-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-[(2-hydroxy-1-methylcyclohexyl)methyl]-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

Related Compounds

(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119801888
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119334023
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722478
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119952000
2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
CID 103827771
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114756823
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
(2S)-2-amino-3,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]butanamide;hydrochloride
CID 119809936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide (CID 119801889) is (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide is CC1(CNC(=O)[C@@H](N)C(C)(C)C)CCCCC1O.
What is the InChIKey of (2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is YMULHNJVPYPQBT-IQLKVPPVSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)11(15)12(18)16-9-14(4)8-6-5-7-10(14)17/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-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-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-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119801889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).