4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide

C25H27N3O2 — CID 54838181

IUPAC4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c1-4-28(22-10-6-5-7-11-22)25(30)20-13-15-21(16-14-20)26-17-24(29)27-23-12-8-9-18(2)19(23)3/h5-16,26H,4,17H2,1-3H3,(H,27,29)
InChIKeyKDYDHSVBQLDLMC-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.02
Rot. Bonds7

About 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide

4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 54838181) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID54838181
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c1-4-28(22-10-6-5-7-11-22)25(30)20-13-15-21(16-14-20)26-17-24(29)27-23-12-8-9-18(2)19(23)3/h5-16,26H,4,17H2,1-3H3,(H,27,29)
InChIKeyKDYDHSVBQLDLMC-UHFFFAOYSA-N
XLogP5.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838462
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651
propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
CID 54812803
N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838962
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846384
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide (CID 54838181) is 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is KDYDHSVBQLDLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-4-28(22-10-6-5-7-11-22)25(30)20-13-15-21(16-14-20)26-17-24(29)27-23-12-8-9-18(2)19(23)3/h5-16,26H,4,17H2,1-3H3,(H,27,29).
What are the key properties of 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 54838181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).