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

C27H39NO6 — CID 66797774

IUPACethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2c(C(C)C)cc(C(C)C)cc2C(C)C)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C27H39NO6/c1-9-32-26(30)33-24-23(25(29)34-27(24)10-12-28(31-8)13-11-27)22-20(17(4)5)14-19(16(2)3)15-21(22)18(6)7/h14-18H,9-13H2,1-8H3
InChIKeyGOJCSLSWQMXWDC-UHFFFAOYSA-N
MW473.61 g/mol
LogP5.89
Rot. Bonds7

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

ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (PubChem CID 66797774) has the molecular formula C27H39NO6 and a molecular weight of 473.61 g/mol. Its IUPAC name is ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
PubChem CID66797774
Molecular FormulaC27H39NO6
Molecular Weight473.61 g/mol
Exact Mass473.28
IUPAC Nameethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2c(C(C)C)cc(C(C)C)cc2C(C)C)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C27H39NO6/c1-9-32-26(30)33-24-23(25(29)34-27(24)10-12-28(31-8)13-11-27)22-20(17(4)5)14-19(16(2)3)15-21(22)18(6)7/h14-18H,9-13H2,1-8H3
InChIKeyGOJCSLSWQMXWDC-UHFFFAOYSA-N
XLogP5.89
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The IUPAC name of ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (CID 66797774) is ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.
What is the SMILES notation for ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The canonical SMILES for ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is CCOC(=O)OC1=C(c2c(C(C)C)cc(C(C)C)cc2C(C)C)C(=O)OC12CCN(OC)CC2.
What is the InChIKey of ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The InChIKey is GOJCSLSWQMXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO6/c1-9-32-26(30)33-24-23(25(29)34-27(24)10-12-28(31-8)13-11-27)22-20(17(4)5)14-19(16(2)3)15-21(22)18(6)7/h14-18H,9-13H2,1-8H3.
What are the key properties of ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate has a molecular weight of 473.61 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is sourced from PubChem (CID 66797774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).