2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide

C18H22FN3O2 — CID 97410240

IUPAC2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCC1=NC2(CCC(C(=O)Nc3ccc(F)cc3)CC2)C(=O)N1C
InChIInChI=1S/C18H22FN3O2/c1-3-15-21-18(17(24)22(15)2)10-8-12(9-11-18)16(23)20-14-6-4-13(19)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyWTMPKOKJLDUNSH-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.97
Rot. Bonds3

About 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide

2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 97410240) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID97410240
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCC1=NC2(CCC(C(=O)Nc3ccc(F)cc3)CC2)C(=O)N1C
InChIInChI=1S/C18H22FN3O2/c1-3-15-21-18(17(24)22(15)2)10-8-12(9-11-18)16(23)20-14-6-4-13(19)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyWTMPKOKJLDUNSH-UHFFFAOYSA-N
XLogP2.97
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide (CID 97410240) is 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide is CCC1=NC2(CCC(C(=O)Nc3ccc(F)cc3)CC2)C(=O)N1C.
What is the InChIKey of 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is WTMPKOKJLDUNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-3-15-21-18(17(24)22(15)2)10-8-12(9-11-18)16(23)20-14-6-4-13(19)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,23).
What are the key properties of 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide?
2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 97410240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).