[3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate

C22H30N2O4 — CID 59930875

IUPAC[3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(c2ccc(OCC)cc2C)C(=O)NC12CCCCCC2
InChIInChI=1S/C22H30N2O4/c1-4-23-21(26)28-19-18(17-11-10-16(27-5-2)14-15(17)3)20(25)24-22(19)12-8-6-7-9-13-22/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyTYEZQRNHRWDTBY-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.07
Rot. Bonds5

About [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate

[3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate (PubChem CID 59930875) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate
PubChem CID59930875
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name[3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(c2ccc(OCC)cc2C)C(=O)NC12CCCCCC2
InChIInChI=1S/C22H30N2O4/c1-4-23-21(26)28-19-18(17-11-10-16(27-5-2)14-15(17)3)20(25)24-22(19)12-8-6-7-9-13-22/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyTYEZQRNHRWDTBY-UHFFFAOYSA-N
XLogP4.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate
CID 59030299
[3-(2-chloro-5-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] hydrogen carbonate
CID 71214526
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-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate;ethane
CID 143608016
[8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 11326976
3-[2,5-dimethyl-4-(4-methylphenyl)phenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one;[3-[2,5-dimethyl-4-(4-methylphenyl)phenyl]-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate;propane
CID 159545759
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
2-(1-aminocyclopentyl)-N-(4-ethoxy-2-methylphenyl)acetamide
CID 64683884
3-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110579648
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-ethoxybenzamide
CID 41491110
3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate?
The IUPAC name of [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate (CID 59930875) is [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate.
What is the SMILES notation for [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate?
The canonical SMILES for [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate is CCNC(=O)OC1=C(c2ccc(OCC)cc2C)C(=O)NC12CCCCCC2.
What is the InChIKey of [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate?
The InChIKey is TYEZQRNHRWDTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-4-23-21(26)28-19-18(17-11-10-16(27-5-2)14-15(17)3)20(25)24-22(19)12-8-6-7-9-13-22/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate?
[3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate has a molecular weight of 386.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate is sourced from PubChem (CID 59930875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).