2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide

C25H26N4O4 — CID 2658446

IUPAC2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H26N4O4/c1-29(16-23(30)26-19-12-14-20(33-2)15-13-19)17-24(31)28-22-11-7-6-10-21(22)25(32)27-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,30)(H,27,32)(H,28,31)
InChIKeyTXHBYALJHWWPTA-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.46
Rot. Bonds9

About 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide

2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide (PubChem CID 2658446) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
PubChem CID2658446
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H26N4O4/c1-29(16-23(30)26-19-12-14-20(33-2)15-13-19)17-24(31)28-22-11-7-6-10-21(22)25(32)27-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,30)(H,27,32)(H,28,31)
InChIKeyTXHBYALJHWWPTA-UHFFFAOYSA-N
XLogP3.46
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
N-(4-methoxyphenyl)-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 9434073
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
CID 2469957
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8712443
2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 17426103
2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27253562
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 2975281
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide (CID 2658446) is 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide is COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is TXHBYALJHWWPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-29(16-23(30)26-19-12-14-20(33-2)15-13-19)17-24(31)28-22-11-7-6-10-21(22)25(32)27-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,30)(H,27,32)(H,28,31).
What are the key properties of 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 446.51 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 2658446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).