N-(2-hydroxyphenyl)-3-oxopentanamide

C11H13NO3 — CID 155516934

IUPACN-(2-hydroxyphenyl)-3-oxopentanamide
SMILESCCC(=O)CC(=O)Nc1ccccc1O
InChIInChI=1S/C11H13NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h3-6,14H,2,7H2,1H3,(H,12,15)
InChIKeyJZNCNUHMEJLDRM-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.70
Rot. Bonds4

About N-(2-hydroxyphenyl)-3-oxopentanamide

N-(2-hydroxyphenyl)-3-oxopentanamide (PubChem CID 155516934) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-oxopentanamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-oxopentanamide
PubChem CID155516934
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(2-hydroxyphenyl)-3-oxopentanamide
SMILESCCC(=O)CC(=O)Nc1ccccc1O
InChIInChI=1S/C11H13NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h3-6,14H,2,7H2,1H3,(H,12,15)
InChIKeyJZNCNUHMEJLDRM-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-oxopentanamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-oxopentanamide (CID 155516934) is N-(2-hydroxyphenyl)-3-oxopentanamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-oxopentanamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-oxopentanamide is CCC(=O)CC(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-3-oxopentanamide?
The InChIKey is JZNCNUHMEJLDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h3-6,14H,2,7H2,1H3,(H,12,15).
What are the key properties of N-(2-hydroxyphenyl)-3-oxopentanamide?
N-(2-hydroxyphenyl)-3-oxopentanamide has a molecular weight of 207.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-oxopentanamide is sourced from PubChem (CID 155516934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).