2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide

C13H19NO5 — CID 104936500

IUPAC2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C13H19NO5/c1-18-8-9-19-7-3-6-14-13(17)10-4-2-5-11(15)12(10)16/h2,4-5,15-16H,3,6-9H2,1H3,(H,14,17)
InChIKeyJXPCFAOENTXQFX-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.88
Rot. Bonds8

About 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide

2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide (PubChem CID 104936500) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
PubChem CID104936500
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C13H19NO5/c1-18-8-9-19-7-3-6-14-13(17)10-4-2-5-11(15)12(10)16/h2,4-5,15-16H,3,6-9H2,1H3,(H,14,17)
InChIKeyJXPCFAOENTXQFX-UHFFFAOYSA-N
XLogP0.88
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
CID 103852955
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
CID 104696914
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
4-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
2-chloro-N-[3-(2-methoxyethoxy)propyl]-3-nitrobenzamide
CID 115931099

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide (CID 104936500) is 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide is COCCOCCCNC(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide?
The InChIKey is JXPCFAOENTXQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-18-8-9-19-7-3-6-14-13(17)10-4-2-5-11(15)12(10)16/h2,4-5,15-16H,3,6-9H2,1H3,(H,14,17).
What are the key properties of 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide?
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide has a molecular weight of 269.30 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide is sourced from PubChem (CID 104936500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).