(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide

C14H22N2O — CID 78972266

IUPAC(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
SMILESCC(C)CC(NC(=O)[C@@H](C)N)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-10(2)9-13(16-14(17)11(3)15)12-7-5-4-6-8-12/h4-8,10-11,13H,9,15H2,1-3H3,(H,16,17)/t11-,13?/m1/s1
InChIKeyCZBJLPIRMREFMJ-JTDNENJMSA-N
MW234.34 g/mol
LogP2.24
Rot. Bonds5

About (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide

(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide (PubChem CID 78972266) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
PubChem CID78972266
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
SMILESCC(C)CC(NC(=O)[C@@H](C)N)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-10(2)9-13(16-14(17)11(3)15)12-7-5-4-6-8-12/h4-8,10-11,13H,9,15H2,1-3H3,(H,16,17)/t11-,13?/m1/s1
InChIKeyCZBJLPIRMREFMJ-JTDNENJMSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-N-(3-methyl-1-phenylbutyl)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

3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 129249183
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311
(2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide
CID 93487870
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
(2S)-2-benzylsulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 94020092
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide (CID 78972266) is (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide is CC(C)CC(NC(=O)[C@@H](C)N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide?
The InChIKey is CZBJLPIRMREFMJ-JTDNENJMSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)9-13(16-14(17)11(3)15)12-7-5-4-6-8-12/h4-8,10-11,13H,9,15H2,1-3H3,(H,16,17)/t11-,13?/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide?
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide is sourced from PubChem (CID 78972266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).