2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide

C25H27N3O2 — CID 9106065

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C25H27N3O2/c1-4-19-12-14-20(15-13-19)27-25(30)21-9-5-6-10-23(21)26-16-24(29)28-22-11-7-8-17(2)18(22)3/h5-15,26H,4,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyLTGPSISCHYLRLA-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.17
Rot. Bonds7

About 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide (PubChem CID 9106065) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
PubChem CID9106065
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C25H27N3O2/c1-4-19-12-14-20(15-13-19)27-25(30)21-9-5-6-10-23(21)26-16-24(29)28-22-11-7-8-17(2)18(22)3/h5-15,26H,4,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyLTGPSISCHYLRLA-UHFFFAOYSA-N
XLogP5.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106324
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 2437754
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9103988
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-ethylphenyl)acetamide
CID 9435166
2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide
CID 86881942
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18267087
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide (CID 9106065) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide?
The InChIKey is LTGPSISCHYLRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-4-19-12-14-20(15-13-19)27-25(30)21-9-5-6-10-23(21)26-16-24(29)28-22-11-7-8-17(2)18(22)3/h5-15,26H,4,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide has a molecular weight of 401.51 g/mol, XLogP of 5.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 9106065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).