(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide

C13H19NO — CID 16753350

IUPAC(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC[C@H](C)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-4-10(2)13(15)14-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyVOZIYZAFDNZVQF-QWRGUYRKSA-N
MW205.30 g/mol
LogP2.91
Rot. Bonds4

About (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide

(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 16753350) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID16753350
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC[C@H](C)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-4-10(2)13(15)14-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyVOZIYZAFDNZVQF-QWRGUYRKSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-methyl-N-[(1S)-1-phenylethyl]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

2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 10967206
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
4,4-diethoxy-2-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 118589322
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide (CID 16753350) is (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide is CC[C@H](C)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is VOZIYZAFDNZVQF-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10(2)13(15)14-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide?
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 205.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 16753350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).