3,4-dihydroxy-N-(2-hydroxypropyl)benzamide

C10H13NO4 — CID 103955565

IUPAC3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO4/c1-6(12)5-11-10(15)7-2-3-8(13)9(14)4-7/h2-4,6,12-14H,5H2,1H3,(H,11,15)
InChIKeyOJDIAFRDPDZPAE-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.21
Rot. Bonds3

About 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide

3,4-dihydroxy-N-(2-hydroxypropyl)benzamide (PubChem CID 103955565) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
PubChem CID103955565
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO4/c1-6(12)5-11-10(15)7-2-3-8(13)9(14)4-7/h2-4,6,12-14H,5H2,1H3,(H,11,15)
InChIKeyOJDIAFRDPDZPAE-UHFFFAOYSA-N
XLogP0.21
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.21
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

3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
3,4-dihydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113358595
N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126
N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107727577
3,4-dihydroxy-N-[(2R,4R)-2,3,4,5,6-pentahydroxyhexyl]benzamide
CID 118232754
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
CID 110014999
N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
CID 83031665
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide (CID 103955565) is 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide is CC(O)CNC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide?
The InChIKey is OJDIAFRDPDZPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6(12)5-11-10(15)7-2-3-8(13)9(14)4-7/h2-4,6,12-14H,5H2,1H3,(H,11,15).
What are the key properties of 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide?
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide has a molecular weight of 211.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 103955565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).