N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide

C13H17NO3 — CID 107735719

IUPACN-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide
SMILESCN(C(=O)C1(C)CCCO1)c1cccc(O)c1
InChIInChI=1S/C13H17NO3/c1-13(7-4-8-17-13)12(16)14(2)10-5-3-6-11(15)9-10/h3,5-6,9,15H,4,7-8H2,1-2H3
InChIKeyZYNQWNUWEUIFEZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.92
Rot. Bonds2

About N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide

N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide (PubChem CID 107735719) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide
PubChem CID107735719
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide
SMILESCN(C(=O)C1(C)CCCO1)c1cccc(O)c1
InChIInChI=1S/C13H17NO3/c1-13(7-4-8-17-13)12(16)14(2)10-5-3-6-11(15)9-10/h3,5-6,9,15H,4,7-8H2,1-2H3
InChIKeyZYNQWNUWEUIFEZ-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide (CID 107735719) is N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide is CN(C(=O)C1(C)CCCO1)c1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide?
The InChIKey is ZYNQWNUWEUIFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(7-4-8-17-13)12(16)14(2)10-5-3-6-11(15)9-10/h3,5-6,9,15H,4,7-8H2,1-2H3.
What are the key properties of N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide?
N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 107735719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).