N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide

C14H16N2O3 — CID 107468166

IUPACN-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1CCCOC1
InChIInChI=1S/C14H16N2O3/c1-18-12-6-2-4-10(8-15)13(12)16-14(17)11-5-3-7-19-9-11/h2,4,6,11H,3,5,7,9H2,1H3,(H,16,17)
InChIKeyHAGVVGRZQJBTMK-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.93
Rot. Bonds3

About N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide

N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide (PubChem CID 107468166) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
PubChem CID107468166
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1CCCOC1
InChIInChI=1S/C14H16N2O3/c1-18-12-6-2-4-10(8-15)13(12)16-14(17)11-5-3-7-19-9-11/h2,4,6,11H,3,5,7,9H2,1H3,(H,16,17)
InChIKeyHAGVVGRZQJBTMK-UHFFFAOYSA-N
XLogP1.93
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988
2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide
CID 107467835
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide
CID 107468521
2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide
CID 107467741
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide
CID 107467862
N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
CID 79953095
N-(4-carbamothioyl-2-methoxyphenyl)oxane-3-carboxamide
CID 104849448
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516
(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 129377300

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide (CID 107468166) is N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide is COc1cccc(C#N)c1NC(=O)C1CCCOC1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide?
The InChIKey is HAGVVGRZQJBTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-6-2-4-10(8-15)13(12)16-14(17)11-5-3-7-19-9-11/h2,4,6,11H,3,5,7,9H2,1H3,(H,16,17).
What are the key properties of N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide?
N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide is sourced from PubChem (CID 107468166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).