[3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

C23H29NO6 — CID 66797681

IUPAC[3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2c(C)cc(C)cc2C2CC2)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C23H29NO6/c1-5-28-22(26)29-20-19(18-15(3)12-14(2)13-17(18)16-6-7-16)21(25)30-23(20)8-10-24(27-4)11-9-23/h12-13,16H,5-11H2,1-4H3
InChIKeyAHRCMPVLIBBZLA-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.02
Rot. Bonds5

About [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

[3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (PubChem CID 66797681) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
PubChem CID66797681
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name[3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2c(C)cc(C)cc2C2CC2)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C23H29NO6/c1-5-28-22(26)29-20-19(18-15(3)12-14(2)13-17(18)16-6-7-16)21(25)30-23(20)8-10-24(27-4)11-9-23/h12-13,16H,5-11H2,1-4H3
InChIKeyAHRCMPVLIBBZLA-UHFFFAOYSA-N
XLogP4.02
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The IUPAC name of [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (CID 66797681) is [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.
What is the SMILES notation for [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The canonical SMILES for [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is CCOC(=O)OC1=C(c2c(C)cc(C)cc2C2CC2)C(=O)OC12CCN(OC)CC2.
What is the InChIKey of [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The InChIKey is AHRCMPVLIBBZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6/c1-5-28-22(26)29-20-19(18-15(3)12-14(2)13-17(18)16-6-7-16)21(25)30-23(20)8-10-24(27-4)11-9-23/h12-13,16H,5-11H2,1-4H3.
What are the key properties of [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
[3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate has a molecular weight of 415.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is sourced from PubChem (CID 66797681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).