N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide

C17H19NO3 — CID 107723124

IUPACN-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C17H19NO3/c1-17(2,3)13-6-4-5-7-14(13)18-16(21)12-10-11(19)8-9-15(12)20/h4-10,19-20H,1-3H3,(H,18,21)
InChIKeyZKJGJCOMWVOBKX-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.65
Rot. Bonds2

About N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide

N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide (PubChem CID 107723124) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
PubChem CID107723124
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C17H19NO3/c1-17(2,3)13-6-4-5-7-14(13)18-16(21)12-10-11(19)8-9-15(12)20/h4-10,19-20H,1-3H3,(H,18,21)
InChIKeyZKJGJCOMWVOBKX-UHFFFAOYSA-N
XLogP3.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.65
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

2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803
N-(2-cyanophenyl)-2,5-dihydroxybenzamide
CID 107721971
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol
CID 43682928
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774
2-tert-butyl-N'-(2-hydroxybenzoyl)benzohydrazide
CID 66844777
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide
CID 107721250
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110858381

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide (CID 107723124) is N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide is CC(C)(C)c1ccccc1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide?
The InChIKey is ZKJGJCOMWVOBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,3)13-6-4-5-7-14(13)18-16(21)12-10-11(19)8-9-15(12)20/h4-10,19-20H,1-3H3,(H,18,21).
What are the key properties of N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide?
N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide has a molecular weight of 285.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107723124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).