N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide

C16H17NO2 — CID 103828162

IUPACN-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
SMILESCc1cc(NC(=O)c2c(C)cccc2C)ccc1O
InChIInChI=1S/C16H17NO2/c1-10-5-4-6-11(2)15(10)16(19)17-13-7-8-14(18)12(3)9-13/h4-9,18H,1-3H3,(H,17,19)
InChIKeyBIFAJJAAUOWJMQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.57
Rot. Bonds2

About N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide

N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide (PubChem CID 103828162) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
PubChem CID103828162
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
SMILESCc1cc(NC(=O)c2c(C)cccc2C)ccc1O
InChIInChI=1S/C16H17NO2/c1-10-5-4-6-11(2)15(10)16(19)17-13-7-8-14(18)12(3)9-13/h4-9,18H,1-3H3,(H,17,19)
InChIKeyBIFAJJAAUOWJMQ-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
CID 107999939
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
N-(4-chlorophenyl)-2-hydroxy-6-methylbenzamide
CID 46215145
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 6457614

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide (CID 103828162) is N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide is Cc1cc(NC(=O)c2c(C)cccc2C)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide?
The InChIKey is BIFAJJAAUOWJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-5-4-6-11(2)15(10)16(19)17-13-7-8-14(18)12(3)9-13/h4-9,18H,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide?
N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 103828162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).