2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide

C13H20N2O — CID 115152411

IUPAC2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N)c(C)c1C
InChIInChI=1S/C13H20N2O/c1-8-5-6-12(10(3)9(8)2)7-15-13(16)11(4)14/h5-6,11H,7,14H2,1-4H3,(H,15,16)
InChIKeyIIMOCGQBHDHXNE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds3

About 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide

2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide (PubChem CID 115152411) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
PubChem CID115152411
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N)c(C)c1C
InChIInChI=1S/C13H20N2O/c1-8-5-6-12(10(3)9(8)2)7-15-13(16)11(4)14/h5-6,11H,7,14H2,1-4H3,(H,15,16)
InChIKeyIIMOCGQBHDHXNE-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[(2,3,4-trimethylphenyl)methyl]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-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115179916
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
N'-[(2,3,4-trimethylphenyl)methyl]oxamide
CID 115191898
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
2-methyl-3-oxo-3-[2-(2,3,4-trimethylphenyl)ethylamino]propanoic acid
CID 115164361
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
3-methyl-2-[[(2,3,4-trimethylphenyl)methylamino]methyl]butanoic acid
CID 115250349
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
CID 115152518
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide (CID 115152411) is 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)N)c(C)c1C.
What is the InChIKey of 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide?
The InChIKey is IIMOCGQBHDHXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-5-6-12(10(3)9(8)2)7-15-13(16)11(4)14/h5-6,11H,7,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide?
2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide is sourced from PubChem (CID 115152411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).