N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide

C17H19NO3 — CID 123398730

IUPACN-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C17H19NO3/c1-17(2,14-10-13(19)8-9-15(14)20)11-18-16(21)12-6-4-3-5-7-12/h3-10,19-20H,11H2,1-2H3,(H,18,21)
InChIKeyWDWLVAGPTGFVQF-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide

N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide (PubChem CID 123398730) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide
PubChem CID123398730
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C17H19NO3/c1-17(2,14-10-13(19)8-9-15(14)20)11-18-16(21)12-6-4-3-5-7-12/h3-10,19-20H,11H2,1-2H3,(H,18,21)
InChIKeyWDWLVAGPTGFVQF-UHFFFAOYSA-N
XLogP2.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515
3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110465856
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119756892
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
CID 46400629
methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
CID 159220306
2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182902
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
benzene-1,2,4-triol;benzoic acid
CID 161265651

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide (CID 123398730) is N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide is CC(C)(CNC(=O)c1ccccc1)c1cc(O)ccc1O.
What is the InChIKey of N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is WDWLVAGPTGFVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,14-10-13(19)8-9-15(14)20)11-18-16(21)12-6-4-3-5-7-12/h3-10,19-20H,11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide?
N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 285.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dihydroxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 123398730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).