3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

C25H26N4O3 — CID 54846365

IUPAC3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H26N4O3/c1-17(18-7-4-3-5-8-18)28-25(32)20-9-6-10-22(15-20)29-23(30)16-27-21-13-11-19(12-14-21)24(31)26-2/h3-15,17,27H,16H2,1-2H3,(H,26,31)(H,28,32)(H,29,30)
InChIKeyXDVOKPYJLZZMEV-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.59
Rot. Bonds8

About 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54846365) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54846365
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H26N4O3/c1-17(18-7-4-3-5-8-18)28-25(32)20-9-6-10-22(15-20)29-23(30)16-27-21-13-11-19(12-14-21)24(31)26-2/h3-15,17,27H,16H2,1-2H3,(H,26,31)(H,28,32)(H,29,30)
InChIKeyXDVOKPYJLZZMEV-UHFFFAOYSA-N
XLogP3.59
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
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
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54811009
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54846365) is 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is CNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is XDVOKPYJLZZMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(18-7-4-3-5-8-18)28-25(32)20-9-6-10-22(15-20)29-23(30)16-27-21-13-11-19(12-14-21)24(31)26-2/h3-15,17,27H,16H2,1-2H3,(H,26,31)(H,28,32)(H,29,30).
What are the key properties of 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.59, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54846365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).