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

C26H37N7O2 — CID 130202412

IUPAC2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CC(N)=O)nn1)C(=O)N2CC1CCC1
InChIInChI=1S/C26H37N7O2/c1-30(2)26(21-9-4-3-5-10-21)13-11-25(12-14-26)19-31(24(35)33(25)15-20-7-6-8-20)16-22-17-32(29-28-22)18-23(27)34/h3-5,9-10,17,20H,6-8,11-16,18-19H2,1-2H3,(H2,27,34)
InChIKeyIKOYSWCQXDHCDO-UHFFFAOYSA-N
MW479.63 g/mol
LogP2.57
Rot. Bonds8

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

2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide (PubChem CID 130202412) has the molecular formula C26H37N7O2 and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide
PubChem CID130202412
Molecular FormulaC26H37N7O2
Molecular Weight479.63 g/mol
Exact Mass479.30
IUPAC Name2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CC(N)=O)nn1)C(=O)N2CC1CCC1
InChIInChI=1S/C26H37N7O2/c1-30(2)26(21-9-4-3-5-10-21)13-11-25(12-14-26)19-31(24(35)33(25)15-20-7-6-8-20)16-22-17-32(29-28-22)18-23(27)34/h3-5,9-10,17,20H,6-8,11-16,18-19H2,1-2H3,(H2,27,34)
InChIKeyIKOYSWCQXDHCDO-UHFFFAOYSA-N
XLogP2.57
TPSA100.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide (CID 130202412) is 2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cn(CC(N)=O)nn1)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
The InChIKey is IKOYSWCQXDHCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O2/c1-30(2)26(21-9-4-3-5-10-21)13-11-25(12-14-26)19-31(24(35)33(25)15-20-7-6-8-20)16-22-17-32(29-28-22)18-23(27)34/h3-5,9-10,17,20H,6-8,11-16,18-19H2,1-2H3,(H2,27,34).
What are the key properties of 2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide?
2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide has a molecular weight of 479.63 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 130202412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).