3,5-dihydroxy-N-pent-4-en-2-ylbenzamide

C12H15NO3 — CID 104939027

IUPAC3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H15NO3/c1-3-4-8(2)13-12(16)9-5-10(14)7-11(15)6-9/h3,5-8,14-15H,1,4H2,2H3,(H,13,16)
InChIKeyUEBHIDYJJUMCJZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds4

About 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide

3,5-dihydroxy-N-pent-4-en-2-ylbenzamide (PubChem CID 104939027) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
PubChem CID104939027
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H15NO3/c1-3-4-8(2)13-12(16)9-5-10(14)7-11(15)6-9/h3,5-8,14-15H,1,4H2,2H3,(H,13,16)
InChIKeyUEBHIDYJJUMCJZ-UHFFFAOYSA-N
XLogP1.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide
CID 115631311
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104939035
3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
CID 115993829
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600
N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
CID 107706110
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 103890504
3-hydroxy-4-nitro-N-pent-4-en-2-ylbenzamide
CID 113237672
4-fluoro-N-pent-4-en-2-yl-3-sulfanylbenzamide
CID 107035149
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide
CID 113237673

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide?
The IUPAC name of 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide (CID 104939027) is 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide.
What is the SMILES notation for 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide?
The canonical SMILES for 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide is C=CCC(C)NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide?
The InChIKey is UEBHIDYJJUMCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-4-8(2)13-12(16)9-5-10(14)7-11(15)6-9/h3,5-8,14-15H,1,4H2,2H3,(H,13,16).
What are the key properties of 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide?
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide has a molecular weight of 221.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-pent-4-en-2-ylbenzamide is sourced from PubChem (CID 104939027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).