N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide

C22H21NO2 — CID 965190

IUPACN-benzyl-2-methoxy-N-(4-methylphenyl)benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H21NO2/c1-17-12-14-19(15-13-17)23(16-18-8-4-3-5-9-18)22(24)20-10-6-7-11-21(20)25-2/h3-15H,16H2,1-2H3
InChIKeyNUTKUHCGVVJHEY-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.85
Rot. Bonds5

About N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide

N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide (PubChem CID 965190) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-N-(4-methylphenyl)benzamide
PubChem CID965190
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-benzyl-2-methoxy-N-(4-methylphenyl)benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H21NO2/c1-17-12-14-19(15-13-17)23(16-18-8-4-3-5-9-18)22(24)20-10-6-7-11-21(20)25-2/h3-15H,16H2,1-2H3
InChIKeyNUTKUHCGVVJHEY-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide?
The IUPAC name of N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide (CID 965190) is N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide is COc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide?
The InChIKey is NUTKUHCGVVJHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17-12-14-19(15-13-17)23(16-18-8-4-3-5-9-18)22(24)20-10-6-7-11-21(20)25-2/h3-15H,16H2,1-2H3.
What are the key properties of N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide?
N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 965190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).