N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide

C17H19NO3 — CID 103891366

IUPACN-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C17H19NO3/c1-17(2,3)12-4-6-13(7-5-12)18-16(21)11-8-14(19)10-15(20)9-11/h4-10,19-20H,1-3H3,(H,18,21)
InChIKeySOZMELBOQURZTE-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.65
Rot. Bonds2

About N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide

N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide (PubChem CID 103891366) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
PubChem CID103891366
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C17H19NO3/c1-17(2,3)12-4-6-13(7-5-12)18-16(21)11-8-14(19)10-15(20)9-11/h4-10,19-20H,1-3H3,(H,18,21)
InChIKeySOZMELBOQURZTE-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

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Related Compounds

N-(4-fluorophenyl)-3,5-dihydroxybenzamide
CID 103891338
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
3,5-ditert-butyl-4-hydroxy-N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]benzamide
CID 54076657
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107706046
5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 17361859
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide (CID 103891366) is N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide is CC(C)(C)c1ccc(NC(=O)c2cc(O)cc(O)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide?
The InChIKey is SOZMELBOQURZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,3)12-4-6-13(7-5-12)18-16(21)11-8-14(19)10-15(20)9-11/h4-10,19-20H,1-3H3,(H,18,21).
What are the key properties of N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide?
N-(4-tert-butylphenyl)-3,5-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-(4-tert-butylphenyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 103891366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).