[1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

C27H38N2O6 — CID 58428220

IUPAC[1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)N(OC2CCCCC2)C12CCN(OC)CC2
InChIInChI=1S/C27H38N2O6/c1-6-33-26(31)34-24-23(22-19(3)16-18(2)17-20(22)4)25(30)29(35-21-10-8-7-9-11-21)27(24)12-14-28(32-5)15-13-27/h16-17,21H,6-15H2,1-5H3
InChIKeyISNCFKLWPVSBJW-UHFFFAOYSA-N
MW486.61 g/mol
LogP5.00
Rot. Bonds6

About [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

[1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (PubChem CID 58428220) has the molecular formula C27H38N2O6 and a molecular weight of 486.61 g/mol. Its IUPAC name is [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
PubChem CID58428220
Molecular FormulaC27H38N2O6
Molecular Weight486.61 g/mol
Exact Mass486.27
IUPAC Name[1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)N(OC2CCCCC2)C12CCN(OC)CC2
InChIInChI=1S/C27H38N2O6/c1-6-33-26(31)34-24-23(22-19(3)16-18(2)17-20(22)4)25(30)29(35-21-10-8-7-9-11-21)27(24)12-14-28(32-5)15-13-27/h16-17,21H,6-15H2,1-5H3
InChIKeyISNCFKLWPVSBJW-UHFFFAOYSA-N
XLogP5.00
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The IUPAC name of [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (CID 58428220) is [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.
What is the SMILES notation for [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The canonical SMILES for [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is CCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)N(OC2CCCCC2)C12CCN(OC)CC2.
What is the InChIKey of [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The InChIKey is ISNCFKLWPVSBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O6/c1-6-33-26(31)34-24-23(22-19(3)16-18(2)17-20(22)4)25(30)29(35-21-10-8-7-9-11-21)27(24)12-14-28(32-5)15-13-27/h16-17,21H,6-15H2,1-5H3.
What are the key properties of [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
[1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate has a molecular weight of 486.61 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyloxy-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is sourced from PubChem (CID 58428220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).