N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide

C25H24N2O4 — CID 55342717

IUPACN-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H24N2O4/c1-17-10-12-18(13-11-17)23(28)14-15-24(29)27-22-9-4-3-8-21(22)25(30)26-19-6-5-7-20(16-19)31-2/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySSSXNUYDOQLVGZ-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.86
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide

N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide (PubChem CID 55342717) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
PubChem CID55342717
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H24N2O4/c1-17-10-12-18(13-11-17)23(28)14-15-24(29)27-22-9-4-3-8-21(22)25(30)26-19-6-5-7-20(16-19)31-2/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySSSXNUYDOQLVGZ-UHFFFAOYSA-N
XLogP4.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide
CID 55343011
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55577306
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-[3-(2-ethoxyphenyl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55380656
2-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 2516706
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide
CID 4787980
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26618245

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide (CID 55342717) is N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)CCC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
The InChIKey is SSSXNUYDOQLVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-10-12-18(13-11-17)23(28)14-15-24(29)27-22-9-4-3-8-21(22)25(30)26-19-6-5-7-20(16-19)31-2/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide?
N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide is sourced from PubChem (CID 55342717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).