4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

C25H27N3O2 — CID 54846371

IUPAC4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1C
InChIInChI=1S/C25H27N3O2/c1-17-9-12-23(15-18(17)2)28-24(29)16-26-22-13-10-21(11-14-22)25(30)27-19(3)20-7-5-4-6-8-20/h4-15,19,26H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyDYXGDHOFPCFTCT-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.85
Rot. Bonds7

About 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54846371) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54846371
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1C
InChIInChI=1S/C25H27N3O2/c1-17-9-12-23(15-18(17)2)28-24(29)16-26-22-13-10-21(11-14-22)25(30)27-19(3)20-7-5-4-6-8-20/h4-15,19,26H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyDYXGDHOFPCFTCT-UHFFFAOYSA-N
XLogP4.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846408
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887543

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (CID 54846371) is 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is Cc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1C.
What is the InChIKey of 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is DYXGDHOFPCFTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17-9-12-23(15-18(17)2)28-24(29)16-26-22-13-10-21(11-14-22)25(30)27-19(3)20-7-5-4-6-8-20/h4-15,19,26H,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54846371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).