N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide

C11H15NO4 — CID 69294862

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C11H15NO4/c1-7(13)11(16)12-5-4-8-2-3-9(14)10(15)6-8/h2-3,6-7,13-15H,4-5H2,1H3,(H,12,16)
InChIKeyFYLDYQQOSOILHJ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.14
Rot. Bonds4

About N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide (PubChem CID 69294862) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
PubChem CID69294862
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C11H15NO4/c1-7(13)11(16)12-5-4-8-2-3-9(14)10(15)6-8/h2-3,6-7,13-15H,4-5H2,1H3,(H,12,16)
InChIKeyFYLDYQQOSOILHJ-UHFFFAOYSA-N
XLogP0.14
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxyacetamide;2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
CID 157283919
N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
CID 115140882
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
4-tert-butyl-N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112771440
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 4043890
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 112529616
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxypropanamide
CID 90161790
N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78797273
2-chloro-N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 78797095
(2S)-2-acetamido-N-[2-(3,4-dihydroxyphenyl)ethyl]-4-methylsulfanylbutanamide
CID 22812625

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide (CID 69294862) is N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide is CC(O)C(=O)NCCc1ccc(O)c(O)c1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide?
The InChIKey is FYLDYQQOSOILHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(13)11(16)12-5-4-8-2-3-9(14)10(15)6-8/h2-3,6-7,13-15H,4-5H2,1H3,(H,12,16).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide has a molecular weight of 225.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 69294862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).