N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide

C17H19NO2 — CID 63311041

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C17H19NO2/c1-12-6-13(2)8-16(7-12)17(20)18-10-14-4-3-5-15(9-14)11-19/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyUWGFITYJOFIRML-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.73
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide

N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide (PubChem CID 63311041) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
PubChem CID63311041
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C17H19NO2/c1-12-6-13(2)8-16(7-12)17(20)18-10-14-4-3-5-15(9-14)11-19/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyUWGFITYJOFIRML-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
N-[[3-(bromomethyl)phenyl]methyl]-3-chloro-5-methylbenzamide
CID 114313048
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
CID 63311354
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 143752516

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide (CID 63311041) is N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCc2cccc(CO)c2)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide?
The InChIKey is UWGFITYJOFIRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-6-13(2)8-16(7-12)17(20)18-10-14-4-3-5-15(9-14)11-19/h3-9,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 63311041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).