3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide

C21H26N2O3 — CID 113129400

IUPAC3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
SMILESCCOc1ccc(N(CCC(=O)N(C)Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-4-26-20-12-10-19(11-13-20)23(17(2)24)15-14-21(25)22(3)16-18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3
InChIKeyGBQLMOOSSWHFJK-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.49
Rot. Bonds8

About 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide

3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide (PubChem CID 113129400) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
PubChem CID113129400
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
SMILESCCOc1ccc(N(CCC(=O)N(C)Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-4-26-20-12-10-19(11-13-20)23(17(2)24)15-14-21(25)22(3)16-18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3
InChIKeyGBQLMOOSSWHFJK-UHFFFAOYSA-N
XLogP3.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide 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-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113135516
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide
CID 113133000
(E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide
CID 24832558
3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide
CID 113134517
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1102427
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 43039190
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide (CID 113129400) is 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide is CCOc1ccc(N(CCC(=O)N(C)Cc2ccccc2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide?
The InChIKey is GBQLMOOSSWHFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-26-20-12-10-19(11-13-20)23(17(2)24)15-14-21(25)22(3)16-18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3.
What are the key properties of 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide?
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 113129400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).