(2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide

C14H28N2O2 — CID 164604860

IUPAC(2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1C[C@@H](C)C[C@@H](C)C1
InChIInChI=1S/C14H28N2O2/c1-9-5-10(2)7-12(6-9)8-18-11(3)13(15)14(17)16-4/h9-13H,5-8,15H2,1-4H3,(H,16,17)/t9-,10+,11-,12?,13+/m1/s1
InChIKeyDHZWXGQKHVTXSS-WUUNYJKSSA-N
MW256.39 g/mol
LogP1.54
Rot. Bonds5

About (2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide

(2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide (PubChem CID 164604860) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide
PubChem CID164604860
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1C[C@@H](C)C[C@@H](C)C1
InChIInChI=1S/C14H28N2O2/c1-9-5-10(2)7-12(6-9)8-18-11(3)13(15)14(17)16-4/h9-13H,5-8,15H2,1-4H3,(H,16,17)/t9-,10+,11-,12?,13+/m1/s1
InChIKeyDHZWXGQKHVTXSS-WUUNYJKSSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-2-amino-3-[[(3R,5S)-3,5-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

2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
CID 164604020
(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
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide
CID 164604021
(2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide
CID 90383820
(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604083
(2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 164604208
(2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide
CID 164604387
(2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604432
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide?
The IUPAC name of (2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide (CID 164604860) is (2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide?
The canonical SMILES for (2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1C[C@@H](C)C[C@@H](C)C1.
What is the InChIKey of (2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide?
The InChIKey is DHZWXGQKHVTXSS-WUUNYJKSSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9-5-10(2)7-12(6-9)8-18-11(3)13(15)14(17)16-4/h9-13H,5-8,15H2,1-4H3,(H,16,17)/t9-,10+,11-,12?,13+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide?
(2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.54, 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-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide is sourced from PubChem (CID 164604860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).