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

C25H37N7O2 — CID 10073298

IUPAC4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(C)C1CCC2(CC1)CN(C(C)(C)C)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C25H37N7O2/c1-23(2,3)19-11-13-25(14-12-19)16-32(24(4,5)6)22(34)31(25)15-17-7-9-18(10-8-17)20(33)26-21-27-29-30-28-21/h7-10,19H,11-16H2,1-6H3,(H2,26,27,28,29,30,33)
InChIKeySXHGBUOMJXXNES-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.46
Rot. Bonds4

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

4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 10073298) has the molecular formula C25H37N7O2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID10073298
Molecular FormulaC25H37N7O2
Molecular Weight467.62 g/mol
Exact Mass467.30
IUPAC Name4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(C)C1CCC2(CC1)CN(C(C)(C)C)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C25H37N7O2/c1-23(2,3)19-11-13-25(14-12-19)16-32(24(4,5)6)22(34)31(25)15-17-7-9-18(10-8-17)20(33)26-21-27-29-30-28-21/h7-10,19H,11-16H2,1-6H3,(H2,26,27,28,29,30,33)
InChIKeySXHGBUOMJXXNES-UHFFFAOYSA-N
XLogP4.46
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 10073298) is 4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide is CC(C)(C)C1CCC2(CC1)CN(C(C)(C)C)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1.
What is the InChIKey of 4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is SXHGBUOMJXXNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N7O2/c1-23(2,3)19-11-13-25(14-12-19)16-32(24(4,5)6)22(34)31(25)15-17-7-9-18(10-8-17)20(33)26-21-27-29-30-28-21/h7-10,19H,11-16H2,1-6H3,(H2,26,27,28,29,30,33).
What are the key properties of 4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 467.62 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,8-ditert-butyl-2-oxo-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 10073298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).