N-(3-formylphenyl)oxane-3-carboxamide

C13H15NO3 — CID 106912673

IUPACN-(3-formylphenyl)oxane-3-carboxamide
SMILESO=Cc1cccc(NC(=O)C2CCCOC2)c1
InChIInChI=1S/C13H15NO3/c15-8-10-3-1-5-12(7-10)14-13(16)11-4-2-6-17-9-11/h1,3,5,7-8,11H,2,4,6,9H2,(H,14,16)
InChIKeyPKSYHQISFXOCJB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.86
Rot. Bonds3

About N-(3-formylphenyl)oxane-3-carboxamide

N-(3-formylphenyl)oxane-3-carboxamide (PubChem CID 106912673) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3-formylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-formylphenyl)oxane-3-carboxamide
PubChem CID106912673
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(3-formylphenyl)oxane-3-carboxamide
SMILESO=Cc1cccc(NC(=O)C2CCCOC2)c1
InChIInChI=1S/C13H15NO3/c15-8-10-3-1-5-12(7-10)14-13(16)11-4-2-6-17-9-11/h1,3,5,7-8,11H,2,4,6,9H2,(H,14,16)
InChIKeyPKSYHQISFXOCJB-UHFFFAOYSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504
(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
CID 95629895
N-[3-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982117
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)oxane-3-carboxamide?
The IUPAC name of N-(3-formylphenyl)oxane-3-carboxamide (CID 106912673) is N-(3-formylphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-formylphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-formylphenyl)oxane-3-carboxamide is O=Cc1cccc(NC(=O)C2CCCOC2)c1.
What is the InChIKey of N-(3-formylphenyl)oxane-3-carboxamide?
The InChIKey is PKSYHQISFXOCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-8-10-3-1-5-12(7-10)14-13(16)11-4-2-6-17-9-11/h1,3,5,7-8,11H,2,4,6,9H2,(H,14,16).
What are the key properties of N-(3-formylphenyl)oxane-3-carboxamide?
N-(3-formylphenyl)oxane-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 106912673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).