N-(2-acetamido-5-methylphenyl)-3-aminopropanamide

C12H17N3O2 — CID 82034596

IUPACN-(2-acetamido-5-methylphenyl)-3-aminopropanamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)CCN
InChIInChI=1S/C12H17N3O2/c1-8-3-4-10(14-9(2)16)11(7-8)15-12(17)5-6-13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHGAGAEKRALBIAW-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.24
Rot. Bonds4

About N-(2-acetamido-5-methylphenyl)-3-aminopropanamide

N-(2-acetamido-5-methylphenyl)-3-aminopropanamide (PubChem CID 82034596) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-acetamido-5-methylphenyl)-3-aminopropanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-methylphenyl)-3-aminopropanamide
PubChem CID82034596
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-acetamido-5-methylphenyl)-3-aminopropanamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)CCN
InChIInChI=1S/C12H17N3O2/c1-8-3-4-10(14-9(2)16)11(7-8)15-12(17)5-6-13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHGAGAEKRALBIAW-UHFFFAOYSA-N
XLogP1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-acetamido-5-methylphenyl)-3-aminopropanamide 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

N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
CID 39193717
N-[4-methyl-2-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 141023535
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methylphenyl)-3-aminopropanamide?
The IUPAC name of N-(2-acetamido-5-methylphenyl)-3-aminopropanamide (CID 82034596) is N-(2-acetamido-5-methylphenyl)-3-aminopropanamide.
What is the SMILES notation for N-(2-acetamido-5-methylphenyl)-3-aminopropanamide?
The canonical SMILES for N-(2-acetamido-5-methylphenyl)-3-aminopropanamide is CC(=O)Nc1ccc(C)cc1NC(=O)CCN.
What is the InChIKey of N-(2-acetamido-5-methylphenyl)-3-aminopropanamide?
The InChIKey is HGAGAEKRALBIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-3-4-10(14-9(2)16)11(7-8)15-12(17)5-6-13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-acetamido-5-methylphenyl)-3-aminopropanamide?
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide has a molecular weight of 235.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methylphenyl)-3-aminopropanamide is sourced from PubChem (CID 82034596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).