3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one

C20H26ClNO3 — CID 71034928

IUPAC3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCCc1cc(Cl)cc(OC)c1C1=C(C)C2(CCC(OC)CC2)NC1=O
InChIInChI=1S/C20H26ClNO3/c1-5-13-10-14(21)11-16(25-4)18(13)17-12(2)20(22-19(17)23)8-6-15(24-3)7-9-20/h10-11,15H,5-9H2,1-4H3,(H,22,23)
InChIKeyFXGNQPCNDBDNPS-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.14
Rot. Bonds4

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

3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 71034928) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID71034928
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCCc1cc(Cl)cc(OC)c1C1=C(C)C2(CCC(OC)CC2)NC1=O
InChIInChI=1S/C20H26ClNO3/c1-5-13-10-14(21)11-16(25-4)18(13)17-12(2)20(22-19(17)23)8-6-15(24-3)7-9-20/h10-11,15H,5-9H2,1-4H3,(H,22,23)
InChIKeyFXGNQPCNDBDNPS-UHFFFAOYSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one (CID 71034928) is 3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one is CCc1cc(Cl)cc(OC)c1C1=C(C)C2(CCC(OC)CC2)NC1=O.
What is the InChIKey of 3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is FXGNQPCNDBDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO3/c1-5-13-10-14(21)11-16(25-4)18(13)17-12(2)20(22-19(17)23)8-6-15(24-3)7-9-20/h10-11,15H,5-9H2,1-4H3,(H,22,23).
What are the key properties of 3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one?
3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 363.89 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 71034928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).