2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide

C13H17NO3 — CID 113237673

IUPAC2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C13H17NO3/c1-4-5-9(2)14-13(16)11-7-6-10(17-3)8-12(11)15/h4,6-9,15H,1,5H2,2-3H3,(H,14,16)
InChIKeyGWMNVYASXQOEJM-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.10
Rot. Bonds5

About 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide

2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide (PubChem CID 113237673) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide
PubChem CID113237673
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C13H17NO3/c1-4-5-9(2)14-13(16)11-7-6-10(17-3)8-12(11)15/h4,6-9,15H,1,5H2,2-3H3,(H,14,16)
InChIKeyGWMNVYASXQOEJM-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.10
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

2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 47931232
4-bromo-2-methoxy-N-pent-4-en-2-ylbenzamide
CID 115631363
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 76934560
2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 94812199
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-hydroxy-4-methoxybenzamide
CID 115595332
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
N-(dicyclopropylmethyl)-2-hydroxy-4-methoxybenzamide
CID 60717998
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
CID 61243996
4-bromo-2-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631325

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide (CID 113237673) is 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide is C=CCC(C)NC(=O)c1ccc(OC)cc1O.
What is the InChIKey of 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide?
The InChIKey is GWMNVYASXQOEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-5-9(2)14-13(16)11-7-6-10(17-3)8-12(11)15/h4,6-9,15H,1,5H2,2-3H3,(H,14,16).
What are the key properties of 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide?
2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide has a molecular weight of 235.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide is sourced from PubChem (CID 113237673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).