(2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide

C12H25NO2 — CID 58185405

IUPAC(2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide
SMILESCO[C@H](C)[C@H](C)C(=O)N[C@@H](C)CC(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)7-9(3)13-12(14)10(4)11(5)15-6/h8-11H,7H2,1-6H3,(H,13,14)/t9-,10-,11+/m0/s1
InChIKeyJHTLDJZFFHCAGN-GARJFASQSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds6

About (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide

(2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide (PubChem CID 58185405) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide
PubChem CID58185405
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide
SMILESCO[C@H](C)[C@H](C)C(=O)N[C@@H](C)CC(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)7-9(3)13-12(14)10(4)11(5)15-6/h8-11H,7H2,1-6H3,(H,13,14)/t9-,10-,11+/m0/s1
InChIKeyJHTLDJZFFHCAGN-GARJFASQSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide 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

3-methoxy-N-[(2R)-6-methylheptan-2-yl]propanamide
CID 53496021
3-methoxy-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 166437739
N-butan-2-yl-3-ethoxy-2-methyl-4-oxopentanamide
CID 20681292
(2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide
CID 58185401
(2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide
CID 58185418
3-methoxy-N-(3-methylbutyl)propanamide
CID 58394683
3-ethoxy-2-methyl-N-propan-2-ylpropanamide
CID 58871566
3-methoxy-2-methyl-N-propan-2-ylpropanamide
CID 59193633
[4-[(2-Methyl-4-oxopentan-3-yl)amino]-4-oxobutan-2-yl] propan-2-yl carbonate
CID 59571390
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
2-methyl-N-propan-2-yloxolane-3-carboxamide
CID 79758681
3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 84365572

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide?
The IUPAC name of (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide (CID 58185405) is (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide.
What is the SMILES notation for (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide?
The canonical SMILES for (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide is CO[C@H](C)[C@H](C)C(=O)N[C@@H](C)CC(C)C.
What is the InChIKey of (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide?
The InChIKey is JHTLDJZFFHCAGN-GARJFASQSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8(2)7-9(3)13-12(14)10(4)11(5)15-6/h8-11H,7H2,1-6H3,(H,13,14)/t9-,10-,11+/m0/s1.
What are the key properties of (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide?
(2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide has a molecular weight of 215.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-2-methyl-N-[(2S)-4-methylpentan-2-yl]butanamide is sourced from PubChem (CID 58185405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).