4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide

C27H33N7O2 — CID 10435562

IUPAC4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(C)C1CCC2(CC1)CN(c1ccccc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C27H33N7O2/c1-26(2,3)21-13-15-27(16-14-21)18-33(22-7-5-4-6-8-22)25(36)34(27)17-19-9-11-20(12-10-19)23(35)28-24-29-31-32-30-24/h4-12,21H,13-18H2,1-3H3,(H2,28,29,30,31,32,35)
InChIKeyQJKHFICOHPNIPY-UHFFFAOYSA-N
MW487.61 g/mol
LogP4.87
Rot. Bonds5

About 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide

4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 10435562) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID10435562
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(C)C1CCC2(CC1)CN(c1ccccc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C27H33N7O2/c1-26(2,3)21-13-15-27(16-14-21)18-33(22-7-5-4-6-8-22)25(36)34(27)17-19-9-11-20(12-10-19)23(35)28-24-29-31-32-30-24/h4-12,21H,13-18H2,1-3H3,(H2,28,29,30,31,32,35)
InChIKeyQJKHFICOHPNIPY-UHFFFAOYSA-N
XLogP4.87
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 10435562) is 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide is CC(C)(C)C1CCC2(CC1)CN(c1ccccc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1.
What is the InChIKey of 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is QJKHFICOHPNIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-26(2,3)21-13-15-27(16-14-21)18-33(22-7-5-4-6-8-22)25(36)34(27)17-19-9-11-20(12-10-19)23(35)28-24-29-31-32-30-24/h4-12,21H,13-18H2,1-3H3,(H2,28,29,30,31,32,35).
What are the key properties of 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 487.61 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-tert-butyl-2-oxo-3-phenyl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 10435562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).