3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide

C16H17NO2 — CID 54940691

IUPAC3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2C)cc1O
InChIInChI=1S/C16H17NO2/c1-11-5-3-4-6-14(11)10-17-16(19)13-8-7-12(2)15(18)9-13/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyOEDVECOJWIHRDA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.94
Rot. Bonds3

About 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide

3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 54940691) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID54940691
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2C)cc1O
InChIInChI=1S/C16H17NO2/c1-11-5-3-4-6-14(11)10-17-16(19)13-8-7-12(2)15(18)9-13/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyOEDVECOJWIHRDA-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115610944
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 104627455
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide (CID 54940691) is 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccccc2C)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is OEDVECOJWIHRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-5-3-4-6-14(11)10-17-16(19)13-8-7-12(2)15(18)9-13/h3-9,18H,10H2,1-2H3,(H,17,19).
What are the key properties of 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide?
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 54940691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).