N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide

C24H24N2O4 — CID 1301836

IUPACN-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C24H24N2O4/c1-16-9-11-17(12-10-16)13-23(27)25-19-14-22(30-3)20(15-21(19)29-2)26-24(28)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyKSJUEQXJBAWXPY-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.45
Rot. Bonds7

About N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide

N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide (PubChem CID 1301836) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide
PubChem CID1301836
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C24H24N2O4/c1-16-9-11-17(12-10-16)13-23(27)25-19-14-22(30-3)20(15-21(19)29-2)26-24(28)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyKSJUEQXJBAWXPY-UHFFFAOYSA-N
XLogP4.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide (CID 1301836) is N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide?
The InChIKey is KSJUEQXJBAWXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-9-11-17(12-10-16)13-23(27)25-19-14-22(30-3)20(15-21(19)29-2)26-24(28)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1301836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).