N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide

C16H17NO2 — CID 47216049

IUPACN-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2)cc(C)c1O
InChIInChI=1S/C16H17NO2/c1-11-8-13(9-12(2)15(11)18)10-17-16(19)14-6-4-3-5-7-14/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyIGYSZZGHYDDHDX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.94
Rot. Bonds3

About N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide

N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide (PubChem CID 47216049) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide
PubChem CID47216049
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2)cc(C)c1O
InChIInChI=1S/C16H17NO2/c1-11-8-13(9-12(2)15(11)18)10-17-16(19)14-6-4-3-5-7-14/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyIGYSZZGHYDDHDX-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

N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide
CID 91471780
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
4-(benzamidomethyl)benzoic acid
CID 10879683
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
3-(benzamidomethyl)-4-methylbenzoic acid
CID 178053095
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide (CID 47216049) is N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide is Cc1cc(CNC(=O)c2ccccc2)cc(C)c1O.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide?
The InChIKey is IGYSZZGHYDDHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-8-13(9-12(2)15(11)18)10-17-16(19)14-6-4-3-5-7-14/h3-9,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide?
N-[(4-hydroxy-3,5-dimethylphenyl)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 N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide is sourced from PubChem (CID 47216049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).