4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

C32H40ClN7O2 — CID 70900142

About 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 70900142) has the molecular formula C32H40ClN7O2 and a molecular weight of 590.17 g/mol. Its IUPAC name is 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
• PubChem CID: 70900142
• Molecular Formula: C32H40ClN7O2
• Molecular Weight: 590.17 g/mol
• Exact Mass: 589.29
• IUPAC Name: 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
• SMILES: CCCC(c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(Cl)cc2)=NC12CCC(C(C)(C)CC)CC2
• InChI: InChI=1S/C32H40ClN7O2/c1-5-7-26(21-8-10-23(11-9-21)29(41)34-20-27-36-38-39-37-27)40-30(42)28(22-12-14-25(33)15-13-22)35-32(40)18-16-24(17-19-32)31(3,4)6-2/h8-15,24,26H,5-7,16-20H2,1-4H3,(H,34,41)(H,36,37,38,39)
• InChIKey: NRAFZRXTQVKALJ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 116.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.17
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?

The IUPAC name of 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 70900142) is 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

What is the SMILES notation for 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?

The canonical SMILES for 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is CCCC(c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(Cl)cc2)=NC12CCC(C(C)(C)CC)CC2.

What is the InChIKey of 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?

The InChIKey is NRAFZRXTQVKALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40ClN7O2/c1-5-7-26(21-8-10-23(11-9-21)29(41)34-20-27-36-38-39-37-27)40-30(42)28(22-12-14-25(33)15-13-22)35-32(40)18-16-24(17-19-32)31(3,4)6-2/h8-15,24,26H,5-7,16-20H2,1-4H3,(H,34,41)(H,36,37,38,39).

What are the key properties of 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?

4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 590.17 g/mol, XLogP of 6.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 70900142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).