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

C25H27N3O2 — CID 9103404

IUPAC2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C25H27N3O2/c1-18-12-13-21(16-19(18)2)28-24(29)17-27-23-11-7-6-10-22(23)25(30)26-15-14-20-8-4-3-5-9-20/h3-13,16,27H,14-15,17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyMGRWXXWPKHGZTK-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.33
Rot. Bonds8

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

2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 9103404) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID9103404
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C25H27N3O2/c1-18-12-13-21(16-19(18)2)28-24(29)17-27-23-11-7-6-10-22(23)25(30)26-15-14-20-8-4-3-5-9-20/h3-13,16,27H,14-15,17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyMGRWXXWPKHGZTK-UHFFFAOYSA-N
XLogP4.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103465
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103398
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18267087
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
CID 2532138
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9329082
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543586
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide (CID 9103404) is 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide is Cc1ccc(NC(=O)CNc2ccccc2C(=O)NCCc2ccccc2)cc1C.
What is the InChIKey of 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is MGRWXXWPKHGZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-12-13-21(16-19(18)2)28-24(29)17-27-23-11-7-6-10-22(23)25(30)26-15-14-20-8-4-3-5-9-20/h3-13,16,27H,14-15,17H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 9103404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).