2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide

C25H26N4O4 — CID 2521413

IUPAC2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H26N4O4/c1-29(16-23(30)26-19-11-8-12-20(15-19)33-2)17-24(31)28-22-14-7-6-13-21(22)25(32)27-18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H,26,30)(H,27,32)(H,28,31)
InChIKeyUARUOEYSUQPRPI-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.46
Rot. Bonds9

About 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide

2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide (PubChem CID 2521413) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
PubChem CID2521413
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H26N4O4/c1-29(16-23(30)26-19-11-8-12-20(15-19)33-2)17-24(31)28-22-14-7-6-13-21(22)25(32)27-18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H,26,30)(H,27,32)(H,28,31)
InChIKeyUARUOEYSUQPRPI-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-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27253562
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
CID 2469957
2-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 2516706
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide
CID 4787980

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide (CID 2521413) is 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide is COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is UARUOEYSUQPRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-29(16-23(30)26-19-11-8-12-20(15-19)33-2)17-24(31)28-22-14-7-6-13-21(22)25(32)27-18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H,26,30)(H,27,32)(H,28,31).
What are the key properties of 2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[[2-(3-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-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 2521413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).