2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide

C25H34N2O5 — CID 167019595

IUPAC2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
SMILESO=C(Cc1ccc(O)cc1)NCCCCCCOCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C25H34N2O5/c28-22-10-6-20(7-11-22)18-24(30)26-14-3-1-2-4-16-32-17-5-15-27-25(31)19-21-8-12-23(29)13-9-21/h6-13,28-29H,1-5,14-19H2,(H,26,30)(H,27,31)
InChIKeySSTVPBJESZOLFO-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.08
Rot. Bonds15

About 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide

2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide (PubChem CID 167019595) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
PubChem CID167019595
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
SMILESO=C(Cc1ccc(O)cc1)NCCCCCCOCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C25H34N2O5/c28-22-10-6-20(7-11-22)18-24(30)26-14-3-1-2-4-16-32-17-5-15-27-25(31)19-21-8-12-23(29)13-9-21/h6-13,28-29H,1-5,14-19H2,(H,26,30)(H,27,31)
InChIKeySSTVPBJESZOLFO-UHFFFAOYSA-N
XLogP3.08
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106307754
N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
CID 107033812
2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
CID 119763496
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide
CID 137320446
tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate
CID 122624166
(4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide
CID 146530692
2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
CID 147853289
N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
CID 106307533
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide (CID 167019595) is 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide is O=C(Cc1ccc(O)cc1)NCCCCCCOCCCNC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide?
The InChIKey is SSTVPBJESZOLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c28-22-10-6-20(7-11-22)18-24(30)26-14-3-1-2-4-16-32-17-5-15-27-25(31)19-21-8-12-23(29)13-9-21/h6-13,28-29H,1-5,14-19H2,(H,26,30)(H,27,31).
What are the key properties of 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide?
2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 3.08, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide is sourced from PubChem (CID 167019595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).