2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

C14H19NO3 — CID 61399786

IUPAC2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cccc(O)c1)C1CCCO1
InChIInChI=1S/C14H19NO3/c1-10(13-6-3-7-18-13)15-14(17)9-11-4-2-5-12(16)8-11/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3,(H,15,17)
InChIKeyZSZRSHBWZAFULU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds4

About 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (PubChem CID 61399786) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
PubChem CID61399786
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cccc(O)c1)C1CCCO1
InChIInChI=1S/C14H19NO3/c1-10(13-6-3-7-18-13)15-14(17)9-11-4-2-5-12(16)8-11/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3,(H,15,17)
InChIKeyZSZRSHBWZAFULU-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (CID 61399786) is 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide is CC(NC(=O)Cc1cccc(O)c1)C1CCCO1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is ZSZRSHBWZAFULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(13-6-3-7-18-13)15-14(17)9-11-4-2-5-12(16)8-11/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3,(H,15,17).
What are the key properties of 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 61399786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).