[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate

C20H25NO4 — CID 161078914

IUPAC[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2
InChIInChI=1S/C20H25NO4/c1-5-21-19(23)24-17-16(15-13(3)10-12(2)11-14(15)4)18(22)25-20(17)8-6-7-9-20/h10-11H,5-9H2,1-4H3,(H,21,23)
InChIKeyUFQNAANTQKPYOR-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.94
Rot. Bonds3

About [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate

[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate (PubChem CID 161078914) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate
PubChem CID161078914
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2
InChIInChI=1S/C20H25NO4/c1-5-21-19(23)24-17-16(15-13(3)10-12(2)11-14(15)4)18(22)25-20(17)8-6-7-9-20/h10-11H,5-9H2,1-4H3,(H,21,23)
InChIKeyUFQNAANTQKPYOR-UHFFFAOYSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate?
The IUPAC name of [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate (CID 161078914) is [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate.
What is the SMILES notation for [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate?
The canonical SMILES for [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate is CCNC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2.
What is the InChIKey of [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate?
The InChIKey is UFQNAANTQKPYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-21-19(23)24-17-16(15-13(3)10-12(2)11-14(15)4)18(22)25-20(17)8-6-7-9-20/h10-11H,5-9H2,1-4H3,(H,21,23).
What are the key properties of [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate?
[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate has a molecular weight of 343.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate is sourced from PubChem (CID 161078914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).