[8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate

C24H31NO4 — CID 11326976

IUPAC[8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
SMILESCCOC1CCC2(CC1)NC(=O)C(c1cc(C)c(C)cc1C)=C2OC(=O)C1CC1
InChIInChI=1S/C24H31NO4/c1-5-28-18-8-10-24(11-9-18)21(29-23(27)17-6-7-17)20(22(26)25-24)19-13-15(3)14(2)12-16(19)4/h12-13,17-18H,5-11H2,1-4H3,(H,25,26)
InChIKeyXGCRVDXXRKKKFK-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.12
Rot. Bonds5

About [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate

[8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate (PubChem CID 11326976) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
PubChem CID11326976
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name[8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
SMILESCCOC1CCC2(CC1)NC(=O)C(c1cc(C)c(C)cc1C)=C2OC(=O)C1CC1
InChIInChI=1S/C24H31NO4/c1-5-28-18-8-10-24(11-9-18)21(29-23(27)17-6-7-17)20(22(26)25-24)19-13-15(3)14(2)12-16(19)4/h12-13,17-18H,5-11H2,1-4H3,(H,25,26)
InChIKeyXGCRVDXXRKKKFK-UHFFFAOYSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate 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

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 59141990
[3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59562775
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate;ethane
CID 143608016
8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 59562770
[3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 70956410
[3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59758675
ethyl [3-(4-methoxy-2,6-dimethylphenyl)-8-methyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 59930864
[3-(5-bromo-2-methylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58031268
ethyl 3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-ene-4-carboxylate
CID 142775888
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] propyl carbonate
CID 58031266
[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
CID 59538238
sodium 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-olate
CID 135341263

Frequently Asked Questions

What is the IUPAC name of [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The IUPAC name of [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate (CID 11326976) is [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate.
What is the SMILES notation for [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The canonical SMILES for [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate is CCOC1CCC2(CC1)NC(=O)C(c1cc(C)c(C)cc1C)=C2OC(=O)C1CC1.
What is the InChIKey of [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The InChIKey is XGCRVDXXRKKKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-5-28-18-8-10-24(11-9-18)21(29-23(27)17-6-7-17)20(22(26)25-24)19-13-15(3)14(2)12-16(19)4/h12-13,17-18H,5-11H2,1-4H3,(H,25,26).
What are the key properties of [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
[8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate has a molecular weight of 397.52 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate is sourced from PubChem (CID 11326976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).