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

C12H18N2O — CID 82126464

IUPAC2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N)c(C)c1
InChIInChI=1S/C12H18N2O/c1-8-4-5-11(9(2)6-8)7-14-12(15)10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15)
InChIKeyFJMGZHSUGMMASC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.27
Rot. Bonds3

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

2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide (PubChem CID 82126464) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
PubChem CID82126464
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N)c(C)c1
InChIInChI=1S/C12H18N2O/c1-8-4-5-11(9(2)6-8)7-14-12(15)10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15)
InChIKeyFJMGZHSUGMMASC-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[(2,4-dimethylphenyl)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

3-[(2,4-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 115164254
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 75871769
2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115152411
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188860
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
(2S)-2-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119339310

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide (CID 82126464) is 2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)N)c(C)c1.
What is the InChIKey of 2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide?
The InChIKey is FJMGZHSUGMMASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-4-5-11(9(2)6-8)7-14-12(15)10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide?
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide is sourced from PubChem (CID 82126464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).