3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide

C14H19NO3 — CID 116876229

IUPAC3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide
SMILESCOc1cc(C)c(C2(C(N)=O)COC2)c(C)c1C
InChIInChI=1S/C14H19NO3/c1-8-5-11(17-4)9(2)10(3)12(8)14(13(15)16)6-18-7-14/h5H,6-7H2,1-4H3,(H2,15,16)
InChIKeyNXLXQCVJQLHRAQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.37
Rot. Bonds3

About 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide

3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide (PubChem CID 116876229) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide
PubChem CID116876229
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide
SMILESCOc1cc(C)c(C2(C(N)=O)COC2)c(C)c1C
InChIInChI=1S/C14H19NO3/c1-8-5-11(17-4)9(2)10(3)12(8)14(13(15)16)6-18-7-14/h5H,6-7H2,1-4H3,(H2,15,16)
InChIKeyNXLXQCVJQLHRAQ-UHFFFAOYSA-N
XLogP1.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide
CID 116876194
3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane
CID 116871462
1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847386
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741
3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide
CID 116876228
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
1-[3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]ethanone
CID 116873715
2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
CID 116874328
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol
CID 116873054

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide?
The IUPAC name of 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide (CID 116876229) is 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide is COc1cc(C)c(C2(C(N)=O)COC2)c(C)c1C.
What is the InChIKey of 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide?
The InChIKey is NXLXQCVJQLHRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-8-5-11(17-4)9(2)10(3)12(8)14(13(15)16)6-18-7-14/h5H,6-7H2,1-4H3,(H2,15,16).
What are the key properties of 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide?
3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 116876229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).