N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide

C23H22N2O3 — CID 1221794

IUPACN-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-8-11-20(12-9-16)28-15-22(26)24-19-10-13-21(17(2)14-19)25-23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOKRTWKCRKCEFCQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.57
Rot. Bonds6

About N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide

N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 1221794) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID1221794
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-8-11-20(12-9-16)28-15-22(26)24-19-10-13-21(17(2)14-19)25-23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOKRTWKCRKCEFCQ-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide (CID 1221794) is N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide is Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1.
What is the InChIKey of N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is OKRTWKCRKCEFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-8-11-20(12-9-16)28-15-22(26)24-19-10-13-21(17(2)14-19)25-23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide?
N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1221794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).