N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide

C16H17NO2 — CID 115598856

IUPACN-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCc2ccccc2O)c1
InChIInChI=1S/C16H17NO2/c1-11-7-8-12(2)14(9-11)16(19)17-10-13-5-3-4-6-15(13)18/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyJUJPNIMKFHWDKL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.94
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide

N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide (PubChem CID 115598856) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
PubChem CID115598856
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCc2ccccc2O)c1
InChIInChI=1S/C16H17NO2/c1-11-7-8-12(2)14(9-11)16(19)17-10-13-5-3-4-6-15(13)18/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyJUJPNIMKFHWDKL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
5-methyl-2-(methylamino)-N-[(2-methylphenyl)methyl]benzamide
CID 62509176
2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481202
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
4-chloro-2-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 54941047
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598912
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115610944

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide (CID 115598856) is N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCc2ccccc2O)c1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide?
The InChIKey is JUJPNIMKFHWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-7-8-12(2)14(9-11)16(19)17-10-13-5-3-4-6-15(13)18/h3-9,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide?
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide 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 N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 115598856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).