N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide

C24H31N3O5 — CID 39757435

IUPACN-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)CCCNC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C24H31N3O5/c1-4-31-20-14-13-19(16-21(20)32-5-2)26-22(28)17-27(3)23(29)12-9-15-25-24(30)18-10-7-6-8-11-18/h6-8,10-11,13-14,16H,4-5,9,12,15,17H2,1-3H3,(H,25,30)(H,26,28)
InChIKeySCMWRAIILIKQEY-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.09
Rot. Bonds12

About N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide

N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide (PubChem CID 39757435) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
PubChem CID39757435
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)CCCNC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C24H31N3O5/c1-4-31-20-14-13-19(16-21(20)32-5-2)26-22(28)17-27(3)23(29)12-9-15-25-24(30)18-10-7-6-8-11-18/h6-8,10-11,13-14,16H,4-5,9,12,15,17H2,1-3H3,(H,25,30)(H,26,28)
InChIKeySCMWRAIILIKQEY-UHFFFAOYSA-N
XLogP3.09
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide 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-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39758297
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]-2-ethoxybenzamide
CID 31183094
4-(4-bromophenoxy)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbutanamide
CID 24982397
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide
CID 30808188
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135886771
3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 31186118
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 43010376
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
4-cyano-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 8501398

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide (CID 39757435) is N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide is CCOc1ccc(NC(=O)CN(C)C(=O)CCCNC(=O)c2ccccc2)cc1OCC.
What is the InChIKey of N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide?
The InChIKey is SCMWRAIILIKQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-4-31-20-14-13-19(16-21(20)32-5-2)26-22(28)17-27(3)23(29)12-9-15-25-24(30)18-10-7-6-8-11-18/h6-8,10-11,13-14,16H,4-5,9,12,15,17H2,1-3H3,(H,25,30)(H,26,28).
What are the key properties of N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide?
N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.09, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 39757435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).