(2S)-2-[3-(2-methylpropyl)phenyl]propanamide

C13H19NO — CID 124743513

IUPAC(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1cccc([C@H](C)C(N)=O)c1
InChIInChI=1S/C13H19NO/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H2,14,15)/t10-/m0/s1
InChIKeyYXBKCZDRXBCHDL-JTQLQIEISA-N
MW205.30 g/mol
LogP2.47
Rot. Bonds4

About (2S)-2-[3-(2-methylpropyl)phenyl]propanamide

(2S)-2-[3-(2-methylpropyl)phenyl]propanamide (PubChem CID 124743513) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-[3-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
PubChem CID124743513
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1cccc([C@H](C)C(N)=O)c1
InChIInChI=1S/C13H19NO/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H2,14,15)/t10-/m0/s1
InChIKeyYXBKCZDRXBCHDL-JTQLQIEISA-N
XLogP2.47
TPSA43.09 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-[3-(2-methylpropyl)phenyl]propanamide 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

methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
3-(2-methylpropyl)benzamide
CID 23130390
2-[3-(2-methylpropyl)phenyl]propanal
CID 105444490
2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
CID 84680241
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
(2R)-2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 104891234
2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 116551357
methyl 2-[3-(2-methylpropyl)phenyl]hexanoate
CID 116545509
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2S)-2-[3-(2-methylpropyl)phenyl]propanamide (CID 124743513) is (2S)-2-[3-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[3-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-[3-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1cccc([C@H](C)C(N)=O)c1.
What is the InChIKey of (2S)-2-[3-(2-methylpropyl)phenyl]propanamide?
The InChIKey is YXBKCZDRXBCHDL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H2,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-[3-(2-methylpropyl)phenyl]propanamide?
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide has a molecular weight of 205.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 124743513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).