8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

C21H29NO3 — CID 59562770

IUPAC8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCCOC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(C)c1C)=C2O
InChIInChI=1S/C21H29NO3/c1-6-25-16-7-9-21(10-8-16)19(23)18(20(24)22-21)17-13(3)11-12(2)14(4)15(17)5/h11,16,23H,6-10H2,1-5H3,(H,22,24)
InChIKeyZZHNINGKYCFBPA-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.04
Rot. Bonds3

About 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 59562770) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID59562770
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCCOC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(C)c1C)=C2O
InChIInChI=1S/C21H29NO3/c1-6-25-16-7-9-21(10-8-16)19(23)18(20(24)22-21)17-13(3)11-12(2)14(4)15(17)5/h11,16,23H,6-10H2,1-5H3,(H,22,24)
InChIKeyZZHNINGKYCFBPA-UHFFFAOYSA-N
XLogP4.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (CID 59562770) is 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is CCOC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(C)c1C)=C2O.
What is the InChIKey of 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is ZZHNINGKYCFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-6-25-16-7-9-21(10-8-16)19(23)18(20(24)22-21)17-13(3)11-12(2)14(4)15(17)5/h11,16,23H,6-10H2,1-5H3,(H,22,24).
What are the key properties of 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 343.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4-hydroxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 59562770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).