N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide

C13H17NO3 — CID 71983580

IUPACN-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide
SMILESCCc1ccc(O)c(NC(=O)C2CCOC2)c1
InChIInChI=1S/C13H17NO3/c1-2-9-3-4-12(15)11(7-9)14-13(16)10-5-6-17-8-10/h3-4,7,10,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyWTLHCOSDUQIFDE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.93
Rot. Bonds3

About N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide

N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide (PubChem CID 71983580) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide
PubChem CID71983580
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide
SMILESCCc1ccc(O)c(NC(=O)C2CCOC2)c1
InChIInChI=1S/C13H17NO3/c1-2-9-3-4-12(15)11(7-9)14-13(16)10-5-6-17-8-10/h3-4,7,10,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyWTLHCOSDUQIFDE-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide
CID 136560980
9-amino-N-(5-ethyl-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991518
4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide
CID 115295152
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide
CID 81293122
N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
CID 131889204
N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
CID 103604595
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
CID 61278907
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
ethyl 4-fluoro-2-methyl-5-[[(3S)-oxolane-3-carbonyl]amino]benzoate
CID 100643309
N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide (CID 71983580) is N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide is CCc1ccc(O)c(NC(=O)C2CCOC2)c1.
What is the InChIKey of N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide?
The InChIKey is WTLHCOSDUQIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-9-3-4-12(15)11(7-9)14-13(16)10-5-6-17-8-10/h3-4,7,10,15H,2,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide?
N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 71983580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).