2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane

C19H32FN3O2 — CID 170592208

IUPAC2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
SMILESCC.CCCCC1=NC2(CCN(C(=O)C3(F)CC3)CC2)C(=O)N1CC
InChIInChI=1S/C17H26FN3O2.C2H6/c1-3-5-6-13-19-17(15(23)21(13)4-2)9-11-20(12-10-17)14(22)16(18)7-8-16;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyANRYXHMMIIXCOH-UHFFFAOYSA-N
MW353.48 g/mol
LogP3.33
Rot. Bonds5

About 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane

2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane (PubChem CID 170592208) has the molecular formula C19H32FN3O2 and a molecular weight of 353.48 g/mol. Its IUPAC name is 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane.

Molecular Properties

Compound Name2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
PubChem CID170592208
Molecular FormulaC19H32FN3O2
Molecular Weight353.48 g/mol
Exact Mass353.25
IUPAC Name2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
SMILESCC.CCCCC1=NC2(CCN(C(=O)C3(F)CC3)CC2)C(=O)N1CC
InChIInChI=1S/C17H26FN3O2.C2H6/c1-3-5-6-13-19-17(15(23)21(13)4-2)9-11-20(12-10-17)14(22)16(18)7-8-16;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyANRYXHMMIIXCOH-UHFFFAOYSA-N
XLogP3.33
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-8-(2,2,3,3,3-pentafluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170411849
2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
2-Butyl-8-(2,2-difluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592065
2-Butyl-3-methyl-8-(3,3,3-trifluoropropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
CID 170592101
2-Butyl-3-methyl-9-(3,3,3-trifluoropropanoyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one;propane
CID 170592112
2-Butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592255
2-Butyl-8-(3,3-difluorocyclobutanecarbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592339
9-(1-Fluorocyclopropanecarbonyl)-3-propan-2-yl-2-propyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592401
2-Butyl-8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592420
8-(1-Fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one
CID 170592431
2-Butyl-8-(2,2-difluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592433
2-Butyl-8-(3-fluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592472

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
The IUPAC name of 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane (CID 170592208) is 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane.
What is the SMILES notation for 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
The canonical SMILES for 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane is CC.CCCCC1=NC2(CCN(C(=O)C3(F)CC3)CC2)C(=O)N1CC.
What is the InChIKey of 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
The InChIKey is ANRYXHMMIIXCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2.C2H6/c1-3-5-6-13-19-17(15(23)21(13)4-2)9-11-20(12-10-17)14(22)16(18)7-8-16;1-2/h3-12H2,1-2H3;1-2H3.
What are the key properties of 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane has a molecular weight of 353.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane is sourced from PubChem (CID 170592208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).