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

C21H38N4O2 — CID 170592408

IUPAC2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCCC1=NC2(CCN(C(=O)NC(C)CCCC)CC2)C(=O)N1C(C)C
InChIInChI=1S/C21H38N4O2/c1-6-8-10-17(5)22-20(27)24-14-12-21(13-15-24)19(26)25(16(3)4)18(23-21)11-9-7-2/h16-17H,6-15H2,1-5H3,(H,22,27)
InChIKeyGUVKFRRBKTXTBF-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.95
Rot. Bonds8

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

2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 170592408) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound Name2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID170592408
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCCC1=NC2(CCN(C(=O)NC(C)CCCC)CC2)C(=O)N1C(C)C
InChIInChI=1S/C21H38N4O2/c1-6-8-10-17(5)22-20(27)24-14-12-21(13-15-24)19(26)25(16(3)4)18(23-21)11-9-7-2/h16-17H,6-15H2,1-5H3,(H,22,27)
InChIKeyGUVKFRRBKTXTBF-UHFFFAOYSA-N
XLogP3.95
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

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-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of 2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 170592408) is 2-butyl-N-hexan-2-yl-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-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for 2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CCCCC1=NC2(CCN(C(=O)NC(C)CCCC)CC2)C(=O)N1C(C)C.
What is the InChIKey of 2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is GUVKFRRBKTXTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-6-8-10-17(5)22-20(27)24-14-12-21(13-15-24)19(26)25(16(3)4)18(23-21)11-9-7-2/h16-17H,6-15H2,1-5H3,(H,22,27).
What are the key properties of 2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
2-butyl-N-hexan-2-yl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 378.56 g/mol, XLogP of 3.95, 8 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-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 170592408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).