2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide

C13H17NO3 — CID 114104197

IUPAC2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H17NO3/c1-2-12-11(6-7-17-12)13(16)14-9-4-3-5-10(15)8-9/h3-5,8,11-12,15H,2,6-7H2,1H3,(H,14,16)
InChIKeyHFCVBOVHLAKJDV-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.15
Rot. Bonds3

About 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide

2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide (PubChem CID 114104197) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
PubChem CID114104197
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H17NO3/c1-2-12-11(6-7-17-12)13(16)14-9-4-3-5-10(15)8-9/h3-5,8,11-12,15H,2,6-7H2,1H3,(H,14,16)
InChIKeyHFCVBOVHLAKJDV-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide?
The IUPAC name of 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide (CID 114104197) is 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide is CCC1OCCC1C(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide?
The InChIKey is HFCVBOVHLAKJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-12-11(6-7-17-12)13(16)14-9-4-3-5-10(15)8-9/h3-5,8,11-12,15H,2,6-7H2,1H3,(H,14,16).
What are the key properties of 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide?
2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 114104197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).