[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate

C22H30N2O3 — CID 59030299

IUPAC[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(c2c(C)cc(C)cc2CC)C(=O)NC12CCCCC2
InChIInChI=1S/C22H30N2O3/c1-5-16-13-14(3)12-15(4)17(16)18-19(27-21(26)23-6-2)22(24-20(18)25)10-8-7-9-11-22/h12-13H,5-11H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyZKIFPWUEHHATTL-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.16
Rot. Bonds4

About [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate

[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate (PubChem CID 59030299) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate
PubChem CID59030299
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(c2c(C)cc(C)cc2CC)C(=O)NC12CCCCC2
InChIInChI=1S/C22H30N2O3/c1-5-16-13-14(3)12-15(4)17(16)18-19(27-21(26)23-6-2)22(24-20(18)25)10-8-7-9-11-22/h12-13H,5-11H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyZKIFPWUEHHATTL-UHFFFAOYSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate 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-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 59030292
3-(2-bromo-6-ethyl-4-methylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2-bromo-6-ethyl-4-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate;isocyanatoethane
CID 158987882
[3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate
CID 59930875
[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate
CID 161078914
3-(2-ethyl-6-methoxy-4-methylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one;3-(2-ethyl-6-methoxy-4-methylphenyl)-4-methoxycarbothioyloxy-1-azaspiro[4.5]dec-3-en-2-one;O-methyl chloromethanethioate
CID 158709333
[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
CID 59538238
[3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 70956410
8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 76853144
[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] prop-2-enyl carbonate
CID 59538258
ethyl [8-methoxyimino-2-oxo-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 21134203
[3-(2,6-diethyl-4-methylphenyl)-8-methyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 59538243
2-ethoxyethyl [2-oxo-3-(2,4,6-trimethylphenyl)-7-thia-1-azaspiro[4.4]non-3-en-4-yl] carbonate
CID 22896377

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate?
The IUPAC name of [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate (CID 59030299) is [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate.
What is the SMILES notation for [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate?
The canonical SMILES for [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate is CCNC(=O)OC1=C(c2c(C)cc(C)cc2CC)C(=O)NC12CCCCC2.
What is the InChIKey of [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate?
The InChIKey is ZKIFPWUEHHATTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-16-13-14(3)12-15(4)17(16)18-19(27-21(26)23-6-2)22(24-20(18)25)10-8-7-9-11-22/h12-13H,5-11H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate?
[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate has a molecular weight of 370.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate is sourced from PubChem (CID 59030299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).