N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide

C18H19NO3 — CID 17123767

IUPACN-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccc(C(=O)Nc2cc(C)ccc2O)cc1
InChIInChI=1S/C18H19NO3/c1-12(2)11-22-15-7-5-14(6-8-15)18(21)19-16-10-13(3)4-9-17(16)20/h4-10,20H,1,11H2,2-3H3,(H,19,21)
InChIKeyQYDVCKWHTSUWAI-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.91
Rot. Bonds5

About N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide

N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide (PubChem CID 17123767) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide
PubChem CID17123767
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccc(C(=O)Nc2cc(C)ccc2O)cc1
InChIInChI=1S/C18H19NO3/c1-12(2)11-22-15-7-5-14(6-8-15)18(21)19-16-10-13(3)4-9-17(16)20/h4-10,20H,1,11H2,2-3H3,(H,19,21)
InChIKeyQYDVCKWHTSUWAI-UHFFFAOYSA-N
XLogP3.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
CID 4945159
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060
N-(2-hydroxy-5-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 883490
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
2-(4-fluorophenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 894086
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(4-ethoxyphenoxy)acetate
CID 19180385
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
5-[[3,5-bis[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]methyl]-1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 16753383
4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 82179504

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide (CID 17123767) is N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccc(C(=O)Nc2cc(C)ccc2O)cc1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide?
The InChIKey is QYDVCKWHTSUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(2)11-22-15-7-5-14(6-8-15)18(21)19-16-10-13(3)4-9-17(16)20/h4-10,20H,1,11H2,2-3H3,(H,19,21).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide?
N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide has a molecular weight of 297.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-4-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 17123767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).