2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane

C22H42N4O2 — CID 170592404

IUPAC2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane
SMILESCCC.CCCCC1=NC2(CCN(C(=O)NC(C)CCCC)CC2)C(=O)N1C
InChIInChI=1S/C19H34N4O2.C3H8/c1-5-7-9-15(3)20-18(25)23-13-11-19(12-14-23)17(24)22(4)16(21-19)10-8-6-2;1-3-2/h15H,5-14H2,1-4H3,(H,20,25);3H2,1-2H3
InChIKeyTVSPYVFSYXCGKB-UHFFFAOYSA-N
MW394.60 g/mol
LogP4.59
Rot. Bonds7

About 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane

2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane (PubChem CID 170592404) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane.

Molecular Properties

Compound Name2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane
PubChem CID170592404
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC Name2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane
SMILESCCC.CCCCC1=NC2(CCN(C(=O)NC(C)CCCC)CC2)C(=O)N1C
InChIInChI=1S/C19H34N4O2.C3H8/c1-5-7-9-15(3)20-18(25)23-13-11-19(12-14-23)17(24)22(4)16(21-19)10-8-6-2;1-3-2/h15H,5-14H2,1-4H3,(H,20,25);3H2,1-2H3
InChIKeyTVSPYVFSYXCGKB-UHFFFAOYSA-N
XLogP4.59
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 54.59
H-Bond Donors ≤ 51
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
8-[(2S)-1-(azepan-1-yl)propan-2-yl]-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 95047136
N-{1-[(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)carbonyl]-2-methylpropyl}acetamide
CID 46982582
N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 50953560
4-(2-amino-4,4-dibutyl-5-oxoimidazol-1-yl)-N-butylpiperidine-1-carboxamide
CID 57843719
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 57844034
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 57844064
N-((4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)methyl)acetamide
CID 57908095
2-Nonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66827506
2-Methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70995660
2-(1-Acetylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 117745840

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane?
The IUPAC name of 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane (CID 170592404) is 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane.
What is the SMILES notation for 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane?
The canonical SMILES for 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane is CCC.CCCCC1=NC2(CCN(C(=O)NC(C)CCCC)CC2)C(=O)N1C.
What is the InChIKey of 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane?
The InChIKey is TVSPYVFSYXCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.C3H8/c1-5-7-9-15(3)20-18(25)23-13-11-19(12-14-23)17(24)22(4)16(21-19)10-8-6-2;1-3-2/h15H,5-14H2,1-4H3,(H,20,25);3H2,1-2H3.
What are the key properties of 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane?
2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane has a molecular weight of 394.60 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-hexan-2-yl-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;propane is sourced from PubChem (CID 170592404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).