(2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide

C14H28N2O2 — CID 164604208

IUPAC(2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(C)(C)CC1
InChIInChI=1S/C14H28N2O2/c1-10(12(15)13(17)16-4)18-9-11-5-7-14(2,3)8-6-11/h10-12H,5-9,15H2,1-4H3,(H,16,17)/t10-,12+/m1/s1
InChIKeyLVTWHJUVNLJBKI-PWSUYJOCSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds5

About (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide

(2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide (PubChem CID 164604208) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
PubChem CID164604208
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(C)(C)CC1
InChIInChI=1S/C14H28N2O2/c1-10(12(15)13(17)16-4)18-9-11-5-7-14(2,3)8-6-11/h10-12H,5-9,15H2,1-4H3,(H,16,17)/t10-,12+/m1/s1
InChIKeyLVTWHJUVNLJBKI-PWSUYJOCSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide 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,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide
CID 164604591
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide
CID 171593892
N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
CID 164603950
(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604083
(2S,3R)-2-amino-N-methyl-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)butanamide
CID 164604348
(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604443
(2S,3R)-2-amino-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164604595
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604619
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride
CID 164604624
2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide
CID 164604691
2-acetamido-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164604698
2-acetamido-3-(1-bicyclo[2.2.1]heptanylmethoxy)-N-methylbutanamide
CID 164604789

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide?
The IUPAC name of (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide (CID 164604208) is (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide?
The canonical SMILES for (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(C)(C)CC1.
What is the InChIKey of (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide?
The InChIKey is LVTWHJUVNLJBKI-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(12(15)13(17)16-4)18-9-11-5-7-14(2,3)8-6-11/h10-12H,5-9,15H2,1-4H3,(H,16,17)/t10-,12+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide?
(2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide is sourced from PubChem (CID 164604208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).