N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide

C16H17NO2 — CID 107231351

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C16H17NO2/c1-12-3-2-4-15(9-12)16(19)17-10-13-5-7-14(11-18)8-6-13/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyXRTGBSKPYXEAJN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.42
Rot. Bonds4

About N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide

N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide (PubChem CID 107231351) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
PubChem CID107231351
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C16H17NO2/c1-12-3-2-4-15(9-12)16(19)17-10-13-5-7-14(11-18)8-6-13/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyXRTGBSKPYXEAJN-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 77087853
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methylbenzamide
CID 3439806
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide (CID 107231351) is N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(CO)cc2)c1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
The InChIKey is XRTGBSKPYXEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-3-2-4-15(9-12)16(19)17-10-13-5-7-14(11-18)8-6-13/h2-9,18H,10-11H2,1H3,(H,17,19).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 107231351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).