3-(3,4-dihydroxyphenyl)-N-methylpropanamide

C10H13NO3 — CID 15132211

IUPAC3-(3,4-dihydroxyphenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO3/c1-11-10(14)5-3-7-2-4-8(12)9(13)6-7/h2,4,6,12-13H,3,5H2,1H3,(H,11,14)
InChIKeyJVUOHGAGHQZZJW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.78
Rot. Bonds3

About 3-(3,4-dihydroxyphenyl)-N-methylpropanamide

3-(3,4-dihydroxyphenyl)-N-methylpropanamide (PubChem CID 15132211) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-N-methylpropanamide
PubChem CID15132211
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(3,4-dihydroxyphenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO3/c1-11-10(14)5-3-7-2-4-8(12)9(13)6-7/h2,4,6,12-13H,3,5H2,1H3,(H,11,14)
InChIKeyJVUOHGAGHQZZJW-UHFFFAOYSA-N
XLogP0.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.78
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)propanehydrazide
CID 3746537
3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide
CID 175463692
1-(3,4-dihydroxyphenyl)pentan-3-one
CID 145234678
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
3-(3,4-dihydroxyphenyl)propanethioic S-acid
CID 145421410
3-[3-[[carboxymethyl-[2-[carboxymethyl-[[2-hydroxy-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]amino]ethyl]amino]methyl]-4-hydroxyphenyl]propanoic acid
CID 129093134
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
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
4-(3,4-dihydroxyphenyl)-2-methylidenebutanoic acid
CID 68621917

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-N-methylpropanamide (CID 15132211) is 3-(3,4-dihydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-N-methylpropanamide is CNC(=O)CCc1ccc(O)c(O)c1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-N-methylpropanamide?
The InChIKey is JVUOHGAGHQZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11-10(14)5-3-7-2-4-8(12)9(13)6-7/h2,4,6,12-13H,3,5H2,1H3,(H,11,14).
What are the key properties of 3-(3,4-dihydroxyphenyl)-N-methylpropanamide?
3-(3,4-dihydroxyphenyl)-N-methylpropanamide has a molecular weight of 195.22 g/mol, XLogP of 0.78, 3 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-methylpropanamide is sourced from PubChem (CID 15132211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).