4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide

C21H19NO3 — CID 56933896

IUPAC4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C21H19NO3/c1-22(14-15-4-2-6-19(23)12-15)21(25)17-10-8-16(9-11-17)18-5-3-7-20(24)13-18/h2-13,23-24H,14H2,1H3
InChIKeyIHHBRIDBJDPDRX-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.04
Rot. Bonds4

About 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide

4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 56933896) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID56933896
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C21H19NO3/c1-22(14-15-4-2-6-19(23)12-15)21(25)17-10-8-16(9-11-17)18-5-3-7-20(24)13-18/h2-13,23-24H,14H2,1H3
InChIKeyIHHBRIDBJDPDRX-UHFFFAOYSA-N
XLogP4.04
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rel-4-((R)-((2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl)(3-hydroxyphenyl)methyl)-N,N-diethylbenzamide
CID 119029
4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 2494
4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-diethylbenzamide
CID 9822639
4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide
CID 10252438
N,N-Diethyl-4-[(3-hydroxy-phenyl)-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 11269707
(+)-3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-methyl-N-phenethylbenzamide
CID 11827173
N,N-diethyl-4-(4-(3-hydroxyphenyl)-1-phenethylpiperidin-4-yl)benzamide
CID 22729898
N,N-diethyl-4-[(3-hydroxyphenyl)-(7-prop-2-enyl-2,7-diazatricyclo[4.4.0.03,8]decan-2-yl)methyl]benzamide
CID 58313375
3-[(4-Methylpiperazin-1-yl)carbonyl]-2-naphthol
CID 698250
3-hydroxy-N-[2-[(3-hydroxybenzoyl)amino]ethyl]benzamide
CID 1595148
Ethanone, 1-(3-hydroxyphenyl)-2-(methyl(phenylmethyl)amino)-, hydrochloride (1:1)
CID 172900
3-hydroxy-N,N-dimethylbenzamide
CID 637524

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide (CID 56933896) is 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is IHHBRIDBJDPDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-22(14-15-4-2-6-19(23)12-15)21(25)17-10-8-16(9-11-17)18-5-3-7-20(24)13-18/h2-13,23-24H,14H2,1H3.
What are the key properties of 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide?
4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 56933896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).