3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

C25H27N3O2 — CID 54841883

IUPAC3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C)c(NC(=O)CNc2cccc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C25H27N3O2/c1-17-12-13-18(2)23(14-17)28-24(29)16-26-22-11-7-10-21(15-22)25(30)27-19(3)20-8-5-4-6-9-20/h4-15,19,26H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyOECHORPFQSOUKV-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.85
Rot. Bonds7

About 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54841883) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54841883
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C)c(NC(=O)CNc2cccc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C25H27N3O2/c1-17-12-13-18(2)23(14-17)28-24(29)16-26-22-11-7-10-21(15-22)25(30)27-19(3)20-8-5-4-6-9-20/h4-15,19,26H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyOECHORPFQSOUKV-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-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54842992
N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811860
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842173
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (CID 54841883) is 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is Cc1ccc(C)c(NC(=O)CNc2cccc(C(=O)NC(C)c3ccccc3)c2)c1.
What is the InChIKey of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is OECHORPFQSOUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17-12-13-18(2)23(14-17)28-24(29)16-26-22-11-7-10-21(15-22)25(30)27-19(3)20-8-5-4-6-9-20/h4-15,19,26H,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-(2,5-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 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54841883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).