N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide

C22H20N2O4 — CID 9252851

IUPACN-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O4/c1-27-20-10-6-5-9-19(20)24-21(25)15-28-18-13-11-17(12-14-18)23-22(26)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyVEBDBNALTFARMH-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.96
Rot. Bonds7

About N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide

N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 9252851) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
PubChem CID9252851
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O4/c1-27-20-10-6-5-9-19(20)24-21(25)15-28-18-13-11-17(12-14-18)23-22(26)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyVEBDBNALTFARMH-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide (CID 9252851) is N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide is COc1ccccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is VEBDBNALTFARMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-20-10-6-5-9-19(20)24-21(25)15-28-18-13-11-17(12-14-18)23-22(26)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide?
N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 376.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 9252851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).