3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide

C14H16N2O3 — CID 115184564

IUPAC3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide
SMILESCCc1ccc(OC)c(NC(=O)C2(C#N)COC2)c1
InChIInChI=1S/C14H16N2O3/c1-3-10-4-5-12(18-2)11(6-10)16-13(17)14(7-15)8-19-9-14/h4-6H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyRHVCDALHJFRCKW-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.74
Rot. Bonds4

About 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide

3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide (PubChem CID 115184564) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide
PubChem CID115184564
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide
SMILESCCc1ccc(OC)c(NC(=O)C2(C#N)COC2)c1
InChIInChI=1S/C14H16N2O3/c1-3-10-4-5-12(18-2)11(6-10)16-13(17)14(7-15)8-19-9-14/h4-6H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyRHVCDALHJFRCKW-UHFFFAOYSA-N
XLogP1.74
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-3-cyanooxetane-3-carboxamide
CID 115184554
2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide
CID 115174937
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
CID 82499428
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
3-[(5-ethyl-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929960
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
CID 18383
3-cyano-N-[(3,4-dimethylphenyl)methyl]oxetane-3-carboxamide
CID 115184692
1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 29240891

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide (CID 115184564) is 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide is CCc1ccc(OC)c(NC(=O)C2(C#N)COC2)c1.
What is the InChIKey of 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide?
The InChIKey is RHVCDALHJFRCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-10-4-5-12(18-2)11(6-10)16-13(17)14(7-15)8-19-9-14/h4-6H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide?
3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 115184564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).