8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one

C24H31NO3 — CID 129027334

IUPAC8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCC#Cc1cc(C)c(C2=C(OC)C3(CCC(OCC)CC3)NC2=O)c(CC)c1
InChIInChI=1S/C24H31NO3/c1-6-9-17-14-16(4)20(18(7-2)15-17)21-22(27-5)24(25-23(21)26)12-10-19(11-13-24)28-8-3/h14-15,19H,7-8,10-13H2,1-5H3,(H,25,26)
InChIKeyUZBAMYZOUWDLTJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.13
Rot. Bonds5

About 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one

8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 129027334) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID129027334
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCC#Cc1cc(C)c(C2=C(OC)C3(CCC(OCC)CC3)NC2=O)c(CC)c1
InChIInChI=1S/C24H31NO3/c1-6-9-17-14-16(4)20(18(7-2)15-17)21-22(27-5)24(25-23(21)26)12-10-19(11-13-24)28-8-3/h14-15,19H,7-8,10-13H2,1-5H3,(H,25,26)
InChIKeyUZBAMYZOUWDLTJ-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CID 129027334) is 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one is CC#Cc1cc(C)c(C2=C(OC)C3(CCC(OCC)CC3)NC2=O)c(CC)c1.
What is the InChIKey of 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is UZBAMYZOUWDLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-6-9-17-14-16(4)20(18(7-2)15-17)21-22(27-5)24(25-23(21)26)12-10-19(11-13-24)28-8-3/h14-15,19H,7-8,10-13H2,1-5H3,(H,25,26).
What are the key properties of 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 381.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-(2-ethyl-6-methyl-4-prop-1-ynylphenyl)-4-methoxy-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 129027334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).