3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide

C13H17NO5 — CID 116876194

IUPAC3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide
SMILESCOc1cc(OC)c(C2(C(N)=O)COC2)c(OC)c1
InChIInChI=1S/C13H17NO5/c1-16-8-4-9(17-2)11(10(5-8)18-3)13(12(14)15)6-19-7-13/h4-5H,6-7H2,1-3H3,(H2,14,15)
InChIKeyUNEGPCGYTHZFIB-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.47
Rot. Bonds5

About 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide

3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide (PubChem CID 116876194) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide
PubChem CID116876194
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide
SMILESCOc1cc(OC)c(C2(C(N)=O)COC2)c(OC)c1
InChIInChI=1S/C13H17NO5/c1-16-8-4-9(17-2)11(10(5-8)18-3)13(12(14)15)6-19-7-13/h4-5H,6-7H2,1-3H3,(H2,14,15)
InChIKeyUNEGPCGYTHZFIB-UHFFFAOYSA-N
XLogP0.47
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide
CID 116876229
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116870101
3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
1,3,5-trimethoxybenzene;urea
CID 174919725
1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869883
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
3-(2,4-dimethoxy-6-methylbenzoyl)oxetane-3-carbonitrile
CID 116922317
1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458267
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone
CID 116873775

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide?
The IUPAC name of 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide (CID 116876194) is 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide is COc1cc(OC)c(C2(C(N)=O)COC2)c(OC)c1.
What is the InChIKey of 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide?
The InChIKey is UNEGPCGYTHZFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-16-8-4-9(17-2)11(10(5-8)18-3)13(12(14)15)6-19-7-13/h4-5H,6-7H2,1-3H3,(H2,14,15).
What are the key properties of 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide?
3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 116876194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).