3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide

C12H15NO3 — CID 175463692

IUPAC3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide
SMILESCC=CNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C12H15NO3/c1-2-7-13-12(16)6-4-9-3-5-10(14)11(15)8-9/h2-3,5,7-8,14-15H,4,6H2,1H3,(H,13,16)
InChIKeyKXBOWXHYXJXTKJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.68
Rot. Bonds4

About 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide

3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide (PubChem CID 175463692) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide
PubChem CID175463692
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide
SMILESCC=CNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C12H15NO3/c1-2-7-13-12(16)6-4-9-3-5-10(14)11(15)8-9/h2-3,5,7-8,14-15H,4,6H2,1H3,(H,13,16)
InChIKeyKXBOWXHYXJXTKJ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydroxyphenyl)-N-methylpropanamide
CID 15132211
3-(3,4-dihydroxyphenyl)propanehydrazide
CID 3746537
1-(3,4-dihydroxyphenyl)pentan-3-one
CID 145234678
3-(3,4-dihydroxyphenyl)propanethioic S-acid
CID 145421410
4-[3-(methylamino)propyl]benzene-1,2-diol
CID 14515291
1-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)pentan-3-one
CID 56847287
3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide
CID 139673631
4-[7-(3,4-dihydroxyphenyl)-3,5-dimethylideneheptyl]benzene-1,2-diol
CID 89366813
2-[3-(3,4-dihydroxyphenyl)propanoylamino]-4-methylsulfanylbutanoic acid
CID 21105779
4-(3,4-dihydroxyphenyl)-2-methylidenebutanoic acid
CID 68621917
2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate
CID 170552247
1-(4-bromophenyl)-3-[3-(3,4-dihydroxyphenyl)propanoylamino]urea
CID 17388380

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide (CID 175463692) is 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide is CC=CNC(=O)CCc1ccc(O)c(O)c1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide?
The InChIKey is KXBOWXHYXJXTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-7-13-12(16)6-4-9-3-5-10(14)11(15)8-9/h2-3,5,7-8,14-15H,4,6H2,1H3,(H,13,16).
What are the key properties of 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide?
3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide has a molecular weight of 221.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide is sourced from PubChem (CID 175463692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).