3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide

C26H29NO4 — CID 66689343

IUPAC3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(OCCCCCc2ccccc2)cc1)c1cc(O)cc(O)c1
InChIInChI=1S/C26H29NO4/c28-23-17-22(18-24(29)19-23)26(30)27-15-14-21-10-12-25(13-11-21)31-16-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-13,17-19,28-29H,2,5-6,9,14-16H2,(H,27,30)
InChIKeyPSRLTVMUNUFGAQ-UHFFFAOYSA-N
MW419.52 g/mol
LogP4.86
Rot. Bonds11

About 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide

3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide (PubChem CID 66689343) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide
PubChem CID66689343
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(OCCCCCc2ccccc2)cc1)c1cc(O)cc(O)c1
InChIInChI=1S/C26H29NO4/c28-23-17-22(18-24(29)19-23)26(30)27-15-14-21-10-12-25(13-11-21)31-16-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-13,17-19,28-29H,2,5-6,9,14-16H2,(H,27,30)
InChIKeyPSRLTVMUNUFGAQ-UHFFFAOYSA-N
XLogP4.86
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoic acid
CID 67485301
methyl 3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoate
CID 67485483
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
[6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate
CID 69132240
benzyl-dimethyl-[4-[[4-(5-phenylpentoxy)benzoyl]amino]butyl]azanium
CID 139793402
N-chloro-2-[4-(4-phenylbutoxy)phenyl]ethanamine
CID 89281693
4-(2-ethoxyethoxy)-N-(2-phenylethyl)benzamide
CID 17112545
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108542531
3-[[4-[7-(4-pentylphenoxy)heptyl]benzoyl]amino]propanoic acid
CID 67486020
2-[[4-[4-(3-hydroxyphenyl)butoxy]benzoyl]amino]acetic acid
CID 174532955
4-(5-phenylpentoxy)benzamide
CID 142267536

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide (CID 66689343) is 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide is O=C(NCCc1ccc(OCCCCCc2ccccc2)cc1)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide?
The InChIKey is PSRLTVMUNUFGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c28-23-17-22(18-24(29)19-23)26(30)27-15-14-21-10-12-25(13-11-21)31-16-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-13,17-19,28-29H,2,5-6,9,14-16H2,(H,27,30).
What are the key properties of 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide?
3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide has a molecular weight of 419.52 g/mol, XLogP of 4.86, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[2-[4-(5-phenylpentoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 66689343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).