N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide

C21H24N2O4 — CID 9078863

IUPACN-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C21H24N2O4/c1-3-27-19-11-5-4-10-18(19)21(26)22-13-7-12-20(25)23-17-9-6-8-16(14-17)15(2)24/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyQSKVOQVMZWUSDJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.44
Rot. Bonds9

About N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide

N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 9078863) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
PubChem CID9078863
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C21H24N2O4/c1-3-27-19-11-5-4-10-18(19)21(26)22-13-7-12-20(25)23-17-9-6-8-16(14-17)15(2)24/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyQSKVOQVMZWUSDJ-UHFFFAOYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55532439
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide
CID 9070894
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 8500146
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
2-ethoxy-N-[4-(4-fluoro-3-nitroanilino)-4-oxobutyl]benzamide
CID 9077017
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2-ethoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17219003

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide (CID 9078863) is N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is QSKVOQVMZWUSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-27-19-11-5-4-10-18(19)21(26)22-13-7-12-20(25)23-17-9-6-8-16(14-17)15(2)24/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide?
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 368.43 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 9078863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).