2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide

C21H26N2O3 — CID 8565305

IUPAC2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccccc1CC
InChIInChI=1S/C21H26N2O3/c1-3-16-10-5-7-12-18(16)23-20(24)14-9-15-22-21(25)17-11-6-8-13-19(17)26-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySJRQGIKPPWVNKT-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.80
Rot. Bonds9

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

2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide (PubChem CID 8565305) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
PubChem CID8565305
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccccc1CC
InChIInChI=1S/C21H26N2O3/c1-3-16-10-5-7-12-18(16)23-20(24)14-9-15-22-21(25)17-11-6-8-13-19(17)26-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySJRQGIKPPWVNKT-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 26586169
N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 51237492
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669
N-[4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55532439
N-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 8500146
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[4-[2-chloro-5-(diethylsulfamoyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55427118

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide (CID 8565305) is 2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccccc1CC.
What is the InChIKey of 2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide?
The InChIKey is SJRQGIKPPWVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-16-10-5-7-12-18(16)23-20(24)14-9-15-22-21(25)17-11-6-8-13-19(17)26-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide?
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 8565305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).