4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide

C14H20N2O3 — CID 115295152

IUPAC4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide
SMILESCCc1ccc(O)c(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C14H20N2O3/c1-2-10-3-4-12(17)11(9-10)16-13(18)14(15)5-7-19-8-6-14/h3-4,9,17H,2,5-8,15H2,1H3,(H,16,18)
InChIKeyJXDCOMCZQGDDEH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.40
Rot. Bonds3

About 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide

4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide (PubChem CID 115295152) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide
PubChem CID115295152
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide
SMILESCCc1ccc(O)c(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C14H20N2O3/c1-2-10-3-4-12(17)11(9-10)16-13(18)14(15)5-7-19-8-6-14/h3-4,9,17H,2,5-8,15H2,1H3,(H,16,18)
InChIKeyJXDCOMCZQGDDEH-UHFFFAOYSA-N
XLogP1.40
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diethylphenyl)-4-methoxyoxane-4-carboxamide
CID 126805781
N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide
CID 71983580
4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294126
4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide
CID 115293503
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
CID 113280618
8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide
CID 136560980
4-amino-N-(2-ethoxy-3-pyridinyl)oxane-4-carboxamide
CID 115293923
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide
CID 115294049
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide (CID 115295152) is 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide is CCc1ccc(O)c(NC(=O)C2(N)CCOCC2)c1.
What is the InChIKey of 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide?
The InChIKey is JXDCOMCZQGDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-10-3-4-12(17)11(9-10)16-13(18)14(15)5-7-19-8-6-14/h3-4,9,17H,2,5-8,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide?
4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115295152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).