N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide

C21H19NO4 — CID 74233285

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(-c3ccc(O)cc3)c2)ccc1O
InChIInChI=1S/C21H19NO4/c1-26-20-11-14(5-10-19(20)24)13-22-21(25)17-4-2-3-16(12-17)15-6-8-18(23)9-7-15/h2-12,23-24H,13H2,1H3,(H,22,25)
InChIKeyIRTJLESNZZDEDP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.70
Rot. Bonds5

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

N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide (PubChem CID 74233285) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide
PubChem CID74233285
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(-c3ccc(O)cc3)c2)ccc1O
InChIInChI=1S/C21H19NO4/c1-26-20-11-14(5-10-19(20)24)13-22-21(25)17-4-2-3-16(12-17)15-6-8-18(23)9-7-15/h2-12,23-24H,13H2,1H3,(H,22,25)
InChIKeyIRTJLESNZZDEDP-UHFFFAOYSA-N
XLogP3.70
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
2-[3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]anilino]acetic acid
CID 46999868
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
CID 60971357
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805144
2-ethylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 51091782
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 60508987
5-[[3-[[4-[[[3-(4-hydroxyphenyl)benzoyl]amino]methyl]-2-methylphenoxy]methyl]-5-methylphenyl]sulfamoyl]-2-methoxybenzoic acid
CID 178064737
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide (CID 74233285) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide is COc1cc(CNC(=O)c2cccc(-c3ccc(O)cc3)c2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide?
The InChIKey is IRTJLESNZZDEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-26-20-11-14(5-10-19(20)24)13-22-21(25)17-4-2-3-16(12-17)15-6-8-18(23)9-7-15/h2-12,23-24H,13H2,1H3,(H,22,25).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 74233285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).