2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

C17H30N4O2 — CID 170592093

IUPAC2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCCC1=NC2(CCN(C(=O)N(C)C)CC2)C(=O)N1C(C)C
InChIInChI=1S/C17H30N4O2/c1-6-7-8-14-18-17(15(22)21(14)13(2)3)9-11-20(12-10-17)16(23)19(4)5/h13H,6-12H2,1-5H3
InChIKeyHCLVQNJQHBMNOO-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.34
Rot. Bonds4

About 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 170592093) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound Name2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID170592093
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCCC1=NC2(CCN(C(=O)N(C)C)CC2)C(=O)N1C(C)C
InChIInChI=1S/C17H30N4O2/c1-6-7-8-14-18-17(15(22)21(14)13(2)3)9-11-20(12-10-17)16(23)19(4)5/h13H,6-12H2,1-5H3
InChIKeyHCLVQNJQHBMNOO-UHFFFAOYSA-N
XLogP2.34
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylbutyl)-8-[(4-methylpiperazin-1-yl)carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46999670
2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985220
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-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
2-Butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592509
2-Butyl-3-methyl-8-(3,3,3-trifluoropropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592102
2-Butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592209
2-Butyl-8-(3-fluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592411

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 170592093) is 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CCCCC1=NC2(CCN(C(=O)N(C)C)CC2)C(=O)N1C(C)C.
What is the InChIKey of 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is HCLVQNJQHBMNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-7-8-14-18-17(15(22)21(14)13(2)3)9-11-20(12-10-17)16(23)19(4)5/h13H,6-12H2,1-5H3.
What are the key properties of 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,N-dimethyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 170592093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).