N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide

C21H27N3O2 — CID 54832356

IUPACN-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-5-15-22-21(26)17-11-13-18(14-12-17)23-16-20(25)24(4-2)19-9-7-6-8-10-19/h6-14,23H,3-5,15-16H2,1-2H3,(H,22,26)
InChIKeyGBBSORMGFWHHMC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.68
Rot. Bonds9

About N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide

N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54832356) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
PubChem CID54832356
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-5-15-22-21(26)17-11-13-18(14-12-17)23-16-20(25)24(4-2)19-9-7-6-8-10-19/h6-14,23H,3-5,15-16H2,1-2H3,(H,22,26)
InChIKeyGBBSORMGFWHHMC-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.68
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-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
CID 54835535
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide
CID 54835196
N-butyl-4-phenylbenzamide
CID 3637649
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide (CID 54832356) is N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide is CCCCNC(=O)c1ccc(NCC(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is GBBSORMGFWHHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-5-15-22-21(26)17-11-13-18(14-12-17)23-16-20(25)24(4-2)19-9-7-6-8-10-19/h6-14,23H,3-5,15-16H2,1-2H3,(H,22,26).
What are the key properties of N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54832356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).