N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide

C17H17NO3 — CID 4945159

IUPACN-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H17NO3/c1-3-10-21-14-7-5-13(6-8-14)17(20)18-15-11-12(2)4-9-16(15)19/h3-9,11,19H,1,10H2,2H3,(H,18,20)
InChIKeyXFUUQYXJWJACCJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.52
Rot. Bonds5

About N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide

N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide (PubChem CID 4945159) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
PubChem CID4945159
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H17NO3/c1-3-10-21-14-7-5-13(6-8-14)17(20)18-15-11-12(2)4-9-16(15)19/h3-9,11,19H,1,10H2,2H3,(H,18,20)
InChIKeyXFUUQYXJWJACCJ-UHFFFAOYSA-N
XLogP3.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.52
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-(2-methylprop-2-enoxy)benzamide
CID 17123767
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
CID 2993485
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 2993732
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
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-prop-2-enoxybenzoate
CID 51934673

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide (CID 4945159) is N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2cc(C)ccc2O)cc1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide?
The InChIKey is XFUUQYXJWJACCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-10-21-14-7-5-13(6-8-14)17(20)18-15-11-12(2)4-9-16(15)19/h3-9,11,19H,1,10H2,2H3,(H,18,20).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide?
N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide has a molecular weight of 283.33 g/mol, XLogP of 3.52, 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-prop-2-enoxybenzamide is sourced from PubChem (CID 4945159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).