N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide

C22H21NO2 — CID 56933898

IUPACN-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)cc2)c1
InChIInChI=1S/C22H21NO2/c1-16-5-3-7-20(13-16)18-9-11-19(12-10-18)22(25)23(2)15-17-6-4-8-21(24)14-17/h3-14,24H,15H2,1-2H3
InChIKeyZZFUATVBXFHEIG-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.64
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide

N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide (PubChem CID 56933898) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide
PubChem CID56933898
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)cc2)c1
InChIInChI=1S/C22H21NO2/c1-16-5-3-7-20(13-16)18-9-11-19(12-10-18)22(25)23(2)15-17-6-4-8-21(24)14-17/h3-14,24H,15H2,1-2H3
InChIKeyZZFUATVBXFHEIG-UHFFFAOYSA-N
XLogP4.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide (CID 56933898) is N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide is Cc1cccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)cc2)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide?
The InChIKey is ZZFUATVBXFHEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16-5-3-7-20(13-16)18-9-11-19(12-10-18)22(25)23(2)15-17-6-4-8-21(24)14-17/h3-14,24H,15H2,1-2H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide?
N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide is sourced from PubChem (CID 56933898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).