4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

C31H37Cl2N7O2 — CID 53469058

About 4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 53469058) has the molecular formula C31H37Cl2N7O2 and a molecular weight of 610.59 g/mol. Its IUPAC name is 4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
• PubChem CID: 53469058
• Molecular Formula: C31H37Cl2N7O2
• Molecular Weight: 610.59 g/mol
• Exact Mass: 609.24
• IUPAC Name: 4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
• SMILES: CC1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1
• InChI: InChI=1S/C31H37Cl2N7O2/c1-19-9-13-31(14-10-19)35-27(22-15-23(32)17-24(33)16-22)29(42)40(31)25(11-12-30(2,3)4)20-5-7-21(8-6-20)28(41)34-18-26-36-38-39-37-26/h5-8,15-17,19,25H,9-14,18H2,1-4H3,(H,34,41)(H,36,37,38,39)/t19?,25-,31?/m1/s1
• InChIKey: SFOQNXCTRWOOCM-HFZWTBJMSA-N
• XLogP: 6.54
• TPSA: 116.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.59
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 53469058) is 4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

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

The canonical SMILES for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is CC1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1.

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

The InChIKey is SFOQNXCTRWOOCM-HFZWTBJMSA-N. The full InChI is InChI=1S/C31H37Cl2N7O2/c1-19-9-13-31(14-10-19)35-27(22-15-23(32)17-24(33)16-22)29(42)40(31)25(11-12-30(2,3)4)20-5-7-21(8-6-20)28(41)34-18-26-36-38-39-37-26/h5-8,15-17,19,25H,9-14,18H2,1-4H3,(H,34,41)(H,36,37,38,39)/t19?,25-,31?/m1/s1.

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

4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 610.59 g/mol, XLogP of 6.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-8-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 53469058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).