11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide

C23H31NO4 — CID 11661005

IUPAC11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide
SMILESO=C(CCCCCCCCCCOc1cccc(O)c1)Nc1ccc(O)cc1
InChIInChI=1S/C23H31NO4/c25-20-15-13-19(14-16-20)24-23(27)12-7-5-3-1-2-4-6-8-17-28-22-11-9-10-21(26)18-22/h9-11,13-16,18,25-26H,1-8,12,17H2,(H,24,27)
InChIKeyVGFRZWCDDHFTSG-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.63
Rot. Bonds13

About 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide

11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide (PubChem CID 11661005) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide.

Molecular Properties

Compound Name11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide
PubChem CID11661005
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide
SMILESO=C(CCCCCCCCCCOc1cccc(O)c1)Nc1ccc(O)cc1
InChIInChI=1S/C23H31NO4/c25-20-15-13-19(14-16-20)24-23(27)12-7-5-3-1-2-4-6-8-17-28-22-11-9-10-21(26)18-22/h9-11,13-16,18,25-26H,1-8,12,17H2,(H,24,27)
InChIKeyVGFRZWCDDHFTSG-UHFFFAOYSA-N
XLogP5.63
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
CID 118730959
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide
CID 11661279
6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide
CID 11494742
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
N-(3-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487035
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
formic acid;3-hexoxyphenol
CID 174800460
3-dodecoxyphenol
CID 15719132
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257

Frequently Asked Questions

What is the IUPAC name of 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide?
The IUPAC name of 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide (CID 11661005) is 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide.
What is the SMILES notation for 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide?
The canonical SMILES for 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide is O=C(CCCCCCCCCCOc1cccc(O)c1)Nc1ccc(O)cc1.
What is the InChIKey of 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide?
The InChIKey is VGFRZWCDDHFTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c25-20-15-13-19(14-16-20)24-23(27)12-7-5-3-1-2-4-6-8-17-28-22-11-9-10-21(26)18-22/h9-11,13-16,18,25-26H,1-8,12,17H2,(H,24,27).
What are the key properties of 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide?
11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide has a molecular weight of 385.50 g/mol, XLogP of 5.63, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide is sourced from PubChem (CID 11661005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).