2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide

C21H25N3O4 — CID 9091546

IUPAC2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C21H25N3O4/c1-3-28-18-8-5-4-7-17(18)21(27)23-14-6-9-19(25)24-16-12-10-15(11-13-16)20(26)22-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyQJRCKBZBYYCAFH-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.59
Rot. Bonds9

About 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide

2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide (PubChem CID 9091546) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
PubChem CID9091546
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C21H25N3O4/c1-3-28-18-8-5-4-7-17(18)21(27)23-14-6-9-19(25)24-16-12-10-15(11-13-16)20(26)22-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyQJRCKBZBYYCAFH-UHFFFAOYSA-N
XLogP2.59
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-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-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863
N-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 8500146
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55532439
2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide
CID 9070894
2-ethoxy-N-[4-(4-fluoro-3-nitroanilino)-4-oxobutyl]benzamide
CID 9077017
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 26586169
N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 51237492
2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid
CID 119113379

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide (CID 9091546) is 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide?
The InChIKey is QJRCKBZBYYCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-28-18-8-5-4-7-17(18)21(27)23-14-6-9-19(25)24-16-12-10-15(11-13-16)20(26)22-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide?
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide is sourced from PubChem (CID 9091546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).