4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide

C14H19NO3 — CID 114264190

IUPAC4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide
SMILESC=CCOC(C)CNC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C14H19NO3/c1-4-7-18-11(3)9-15-14(17)12-5-6-13(16)10(2)8-12/h4-6,8,11,16H,1,7,9H2,2-3H3,(H,15,17)
InChIKeyFEDOHVUKYKHCIR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.02
Rot. Bonds6

About 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide

4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide (PubChem CID 114264190) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide
PubChem CID114264190
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide
SMILESC=CCOC(C)CNC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C14H19NO3/c1-4-7-18-11(3)9-15-14(17)12-5-6-13(16)10(2)8-12/h4-6,8,11,16H,1,7,9H2,2-3H3,(H,15,17)
InChIKeyFEDOHVUKYKHCIR-UHFFFAOYSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
CID 107673076
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107675055
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103957412
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide
CID 114264031
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
CID 103956177
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
CID 110014999
N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide
CID 107673205

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide (CID 114264190) is 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide is C=CCOC(C)CNC(=O)c1ccc(O)c(C)c1.
What is the InChIKey of 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide?
The InChIKey is FEDOHVUKYKHCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-7-18-11(3)9-15-14(17)12-5-6-13(16)10(2)8-12/h4-6,8,11,16H,1,7,9H2,2-3H3,(H,15,17).
What are the key properties of 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide?
4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide is sourced from PubChem (CID 114264190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).