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

C24H35N7O2 — CID 10072624

IUPAC4-[(8-tert-butyl-2-oxo-3-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)N1CC2(CCC(C(C)(C)C)CC2)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C1=O
InChIInChI=1S/C24H35N7O2/c1-16(2)30-15-24(12-10-19(11-13-24)23(3,4)5)31(22(30)33)14-17-6-8-18(9-7-17)20(32)25-21-26-28-29-27-21/h6-9,16,19H,10-15H2,1-5H3,(H2,25,26,27,28,29,32)
InChIKeyFLUPUROAZUARDP-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.07
Rot. Bonds5

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

4-[(8-tert-butyl-2-oxo-3-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 10072624) has the molecular formula C24H35N7O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 4-[(8-tert-butyl-2-oxo-3-propan-2-yl-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-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID10072624
Molecular FormulaC24H35N7O2
Molecular Weight453.59 g/mol
Exact Mass453.29
IUPAC Name4-[(8-tert-butyl-2-oxo-3-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)N1CC2(CCC(C(C)(C)C)CC2)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C1=O
InChIInChI=1S/C24H35N7O2/c1-16(2)30-15-24(12-10-19(11-13-24)23(3,4)5)31(22(30)33)14-17-6-8-18(9-7-17)20(32)25-21-26-28-29-27-21/h6-9,16,19H,10-15H2,1-5H3,(H2,25,26,27,28,29,32)
InChIKeyFLUPUROAZUARDP-UHFFFAOYSA-N
XLogP4.07
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(8-tert-butyl-2-oxo-3-propan-2-yl-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-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 10072624) is 4-[(8-tert-butyl-2-oxo-3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide is CC(C)N1CC2(CCC(C(C)(C)C)CC2)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C1=O.
What is the InChIKey of 4-[(8-tert-butyl-2-oxo-3-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is FLUPUROAZUARDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O2/c1-16(2)30-15-24(12-10-19(11-13-24)23(3,4)5)31(22(30)33)14-17-6-8-18(9-7-17)20(32)25-21-26-28-29-27-21/h6-9,16,19H,10-15H2,1-5H3,(H2,25,26,27,28,29,32).
What are the key properties of 4-[(8-tert-butyl-2-oxo-3-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[(8-tert-butyl-2-oxo-3-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 453.59 g/mol, XLogP of 4.07, 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-propan-2-yl-1,3-diazaspiro[4.5]decan-1-yl)methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 10072624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).