N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide

C13H17NO3 — CID 70466326

IUPACN-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide
SMILESCC(=O)NCCCCC(=O)c1ccccc1O
InChIInChI=1S/C13H17NO3/c1-10(15)14-9-5-4-8-13(17)11-6-2-3-7-12(11)16/h2-3,6-7,16H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyHVBNWFQMECYXIY-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.88
Rot. Bonds6

About N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide

N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide (PubChem CID 70466326) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide
PubChem CID70466326
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide
SMILESCC(=O)NCCCCC(=O)c1ccccc1O
InChIInChI=1S/C13H17NO3/c1-10(15)14-9-5-4-8-13(17)11-6-2-3-7-12(11)16/h2-3,6-7,16H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyHVBNWFQMECYXIY-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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disodium;10-(2-hydroxyphenyl)-10-oxodecanoate;12-(2-hydroxyphenyl)-12-oxododecanoate;sulfane
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(E)-12,13-bis(2-hydroxyphenyl)-N-pentylpentadec-12-enamide
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N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide
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(5Z,8Z,11Z,14Z,17Z)-2-ethyl-N-[4-(2-hydroxyphenyl)-4-oxobutyl]icosa-5,8,11,14,17-pentaenamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide?
The IUPAC name of N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide (CID 70466326) is N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide.
What is the SMILES notation for N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide?
The canonical SMILES for N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide is CC(=O)NCCCCC(=O)c1ccccc1O.
What is the InChIKey of N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide?
The InChIKey is HVBNWFQMECYXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)14-9-5-4-8-13(17)11-6-2-3-7-12(11)16/h2-3,6-7,16H,4-5,8-9H2,1H3,(H,14,15).
What are the key properties of N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide?
N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide is sourced from PubChem (CID 70466326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).