N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide

C19H23NO3 — CID 27672955

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1
InChIInChI=1S/C19H23NO3/c1-5-23-15-9-6-13(7-10-15)18(22)20-16-12-14(19(2,3)4)8-11-17(16)21/h6-12,21H,5H2,1-4H3,(H,20,22)
InChIKeyAGOHIUIGBINMNG-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.34
Rot. Bonds4

About N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide

N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide (PubChem CID 27672955) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
PubChem CID27672955
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1
InChIInChI=1S/C19H23NO3/c1-5-23-15-9-6-13(7-10-15)18(22)20-16-12-14(19(2,3)4)8-11-17(16)21/h6-12,21H,5H2,1-4H3,(H,20,22)
InChIKeyAGOHIUIGBINMNG-UHFFFAOYSA-N
XLogP4.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
CID 29262316
N-(5-tert-butyl-2-hydroxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 29265468
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753903
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
CID 1235281
N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide
CID 60588539
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
CID 139011848
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 2905077
N-(5-tert-butyl-2-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 27672924
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
CID 27673068

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide (CID 27672955) is N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide?
The InChIKey is AGOHIUIGBINMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-23-15-9-6-13(7-10-15)18(22)20-16-12-14(19(2,3)4)8-11-17(16)21/h6-12,21H,5H2,1-4H3,(H,20,22).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide?
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide is sourced from PubChem (CID 27672955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).