N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide

C19H24N2O2 — CID 109035452

IUPACN-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-9-7-16(8-10-18)20-12-11-19(22)21-17-6-5-14(2)15(3)13-17/h5-10,13,20H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyJLPXBBIHRLMQBV-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.14
Rot. Bonds7

About N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide

N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide (PubChem CID 109035452) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
PubChem CID109035452
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-18-9-7-16(8-10-18)20-12-11-19(22)21-17-6-5-14(2)15(3)13-17/h5-10,13,20H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyJLPXBBIHRLMQBV-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)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

N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9100799
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109039955
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
methyl 4-[[3-(3,4-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 109035468
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
2-(N-acetyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113173936

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide (CID 109035452) is N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide is CCOc1ccc(NCCC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide?
The InChIKey is JLPXBBIHRLMQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-23-18-9-7-16(8-10-18)20-12-11-19(22)21-17-6-5-14(2)15(3)13-17/h5-10,13,20H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide?
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide has a molecular weight of 312.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide is sourced from PubChem (CID 109035452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).