N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

C29H26N2O4 — CID 26880186

IUPACN-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2)c1
InChIInChI=1S/C29H26N2O4/c1-34-26-12-7-11-24(19-26)30-28(32)20-35-25-16-14-22(15-17-25)29(33)31-27-13-6-5-10-23(27)18-21-8-3-2-4-9-21/h2-17,19H,18,20H2,1H3,(H,30,32)(H,31,33)
InChIKeySLMMCDIORCWUOA-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.56
Rot. Bonds9

About N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 26880186) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID26880186
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2)c1
InChIInChI=1S/C29H26N2O4/c1-34-26-12-7-11-24(19-26)30-28(32)20-35-25-16-14-22(15-17-25)29(33)31-27-13-6-5-10-23(27)18-21-8-3-2-4-9-21/h2-17,19H,18,20H2,1H3,(H,30,32)(H,31,33)
InChIKeySLMMCDIORCWUOA-UHFFFAOYSA-N
XLogP5.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 55723806
4-methoxy-N-[2-methoxy-5-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 46323186
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
(2-benzamido-2-oxoethyl) 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538923
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 3453906
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 41102959
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (CID 26880186) is N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2)c1.
What is the InChIKey of N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is SLMMCDIORCWUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-34-26-12-7-11-24(19-26)30-28(32)20-35-25-16-14-22(15-17-25)29(33)31-27-13-6-5-10-23(27)18-21-8-3-2-4-9-21/h2-17,19H,18,20H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 466.54 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 26880186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).