N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide

C16H17NO2 — CID 5120746

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C)c(O)cc2C)c1
InChIInChI=1S/C16H17NO2/c1-10-5-4-6-13(7-10)16(19)17-14-8-12(3)15(18)9-11(14)2/h4-9,18H,1-3H3,(H,17,19)
InChIKeySSHHCOCTXYCBDR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.57
Rot. Bonds2

About N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide

N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide (PubChem CID 5120746) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
PubChem CID5120746
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C)c(O)cc2C)c1
InChIInChI=1S/C16H17NO2/c1-10-5-4-6-13(7-10)16(19)17-14-8-12(3)15(18)9-11(14)2/h4-9,18H,1-3H3,(H,17,19)
InChIKeySSHHCOCTXYCBDR-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

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
CID 706309
3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide
CID 106834998
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-(4-hydroxy-2,5-dimethylphenyl)-5-methylpyridine-3-carboxamide
CID 106834683
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
CID 139492461
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]anilino]phenyl]-3-methylbenzamide
CID 139492464
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]-3-methylbenzamide
CID 7325861
N-(3-hydroxy-4-pyridinyl)-3-methylbenzamide
CID 66624966
4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
CID 70334005
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide (CID 5120746) is N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(C)c(O)cc2C)c1.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide?
The InChIKey is SSHHCOCTXYCBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-5-4-6-13(7-10)16(19)17-14-8-12(3)15(18)9-11(14)2/h4-9,18H,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide?
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide 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-2,5-dimethylphenyl)-3-methylbenzamide is sourced from PubChem (CID 5120746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).