2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide

C28H33N3O4 — CID 5042527

IUPAC2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(CCc2ccccc2)CC(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C28H33N3O4/c1-3-34-25-14-10-23(11-15-25)29-27(32)20-31(19-18-22-8-6-5-7-9-22)21-28(33)30-24-12-16-26(17-13-24)35-4-2/h5-17H,3-4,18-21H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyQJBHDUGVYUSMEO-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.61
Rot. Bonds13

About 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide

2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 5042527) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide
PubChem CID5042527
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(CCc2ccccc2)CC(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C28H33N3O4/c1-3-34-25-14-10-23(11-15-25)29-27(32)20-31(19-18-22-8-6-5-7-9-22)21-28(33)30-24-12-16-26(17-13-24)35-4-2/h5-17H,3-4,18-21H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyQJBHDUGVYUSMEO-UHFFFAOYSA-N
XLogP4.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide 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-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 113442235
2-[bis(2-hydroxyethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 60686420
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
CID 61011178
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
2-[benzhydryl(methyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 8730307
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7700055

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide (CID 5042527) is 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(CCc2ccccc2)CC(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is QJBHDUGVYUSMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-3-34-25-14-10-23(11-15-25)29-27(32)20-31(19-18-22-8-6-5-7-9-22)21-28(33)30-24-12-16-26(17-13-24)35-4-2/h5-17H,3-4,18-21H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide?
2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 475.59 g/mol, XLogP of 4.61, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 5042527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).