3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide

C16H25NO7 — CID 177473805

IUPAC3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
SMILESCOCCOCCOCCOCCNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C16H25NO7/c1-21-6-7-23-10-11-24-9-8-22-5-4-17-16(20)13-2-3-14(18)15(19)12-13/h2-3,12,18-19H,4-11H2,1H3,(H,17,20)
InChIKeyVZNLGRAIAIHEIE-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.52
Rot. Bonds13

About 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide

3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide (PubChem CID 177473805) has the molecular formula C16H25NO7 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
PubChem CID177473805
Molecular FormulaC16H25NO7
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC Name3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
SMILESCOCCOCCOCCOCCNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C16H25NO7/c1-21-6-7-23-10-11-24-9-8-22-5-4-17-16(20)13-2-3-14(18)15(19)12-13/h2-3,12,18-19H,4-11H2,1H3,(H,17,20)
InChIKeyVZNLGRAIAIHEIE-UHFFFAOYSA-N
XLogP0.52
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3,4-dihydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103956666
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
3,4-dihydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107728714
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide
CID 103956667
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
N-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydroxybenzamide
CID 103955611
4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 20641922
3,4-dihydroxy-N-methoxybenzamide
CID 103956380

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide?
The IUPAC name of 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide (CID 177473805) is 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide?
The canonical SMILES for 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide is COCCOCCOCCOCCNC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide?
The InChIKey is VZNLGRAIAIHEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO7/c1-21-6-7-23-10-11-24-9-8-22-5-4-17-16(20)13-2-3-14(18)15(19)12-13/h2-3,12,18-19H,4-11H2,1H3,(H,17,20).
What are the key properties of 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide?
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 343.38 g/mol, XLogP of 0.52, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 177473805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).