2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide

C13H20N2O — CID 81360390

IUPAC2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@H](C)NC(=O)C(C)(C)N)c1
InChIInChI=1S/C13H20N2O/c1-9-6-5-7-11(8-9)10(2)15-12(16)13(3,4)14/h5-8,10H,14H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyNDBVNQRCTACUKM-JTQLQIEISA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide

2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide (PubChem CID 81360390) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
PubChem CID81360390
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@H](C)NC(=O)C(C)(C)N)c1
InChIInChI=1S/C13H20N2O/c1-9-6-5-7-11(8-9)10(2)15-12(16)13(3,4)14/h5-8,10H,14H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyNDBVNQRCTACUKM-JTQLQIEISA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]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

2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360770
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 81367887
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
CID 81361011
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide (CID 81360390) is 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide is Cc1cccc([C@H](C)NC(=O)C(C)(C)N)c1.
What is the InChIKey of 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide?
The InChIKey is NDBVNQRCTACUKM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-5-7-11(8-9)10(2)15-12(16)13(3,4)14/h5-8,10H,14H2,1-4H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide?
2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 81360390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).