N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide

C19H23NO3 — CID 29262316

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C19H23NO3/c1-5-23-15-8-6-7-13(11-15)18(22)20-16-12-14(19(2,3)4)9-10-17(16)21/h6-12,21H,5H2,1-4H3,(H,20,22)
InChIKeyYUEKIUOAEUZZTG-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.34
Rot. Bonds4

About N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide

N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide (PubChem CID 29262316) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
PubChem CID29262316
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C19H23NO3/c1-5-23-15-8-6-7-13(11-15)18(22)20-16-12-14(19(2,3)4)9-10-17(16)21/h6-12,21H,5H2,1-4H3,(H,20,22)
InChIKeyYUEKIUOAEUZZTG-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)-4-ethoxybenzamide
CID 27672955
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
CID 139011848
2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108741732
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342365
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate
CID 100739583
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide (CID 29262316) is N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide?
The InChIKey is YUEKIUOAEUZZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-23-15-8-6-7-13(11-15)18(22)20-16-12-14(19(2,3)4)9-10-17(16)21/h6-12,21H,5H2,1-4H3,(H,20,22).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide?
N-(5-tert-butyl-2-hydroxyphenyl)-3-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)-3-ethoxybenzamide is sourced from PubChem (CID 29262316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).