2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide

C25H35N7O2 — CID 130202580

IUPAC2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CC(N)=O)nn1)C(=O)N2CC1CCC1
InChIInChI=1S/C25H35N7O2/c1-27-25(20-8-3-2-4-9-20)12-10-24(11-13-25)18-30(23(34)32(24)14-19-6-5-7-19)15-21-16-31(29-28-21)17-22(26)33/h2-4,8-9,16,19,27H,5-7,10-15,17-18H2,1H3,(H2,26,33)
InChIKeyYLNLBILMQYDBCG-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.23
Rot. Bonds8

About 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide

2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide (PubChem CID 130202580) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide
PubChem CID130202580
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Name2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CC(N)=O)nn1)C(=O)N2CC1CCC1
InChIInChI=1S/C25H35N7O2/c1-27-25(20-8-3-2-4-9-20)12-10-24(11-13-25)18-30(23(34)32(24)14-19-6-5-7-19)15-21-16-31(29-28-21)17-22(26)33/h2-4,8-9,16,19,27H,5-7,10-15,17-18H2,1H3,(H2,26,33)
InChIKeyYLNLBILMQYDBCG-UHFFFAOYSA-N
XLogP2.23
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
The IUPAC name of 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide (CID 130202580) is 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide is CNC1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CC(N)=O)nn1)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
The InChIKey is YLNLBILMQYDBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-27-25(20-8-3-2-4-9-20)12-10-24(11-13-25)18-30(23(34)32(24)14-19-6-5-7-19)15-21-16-31(29-28-21)17-22(26)33/h2-4,8-9,16,19,27H,5-7,10-15,17-18H2,1H3,(H2,26,33).
What are the key properties of 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide has a molecular weight of 465.60 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 130202580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).