8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

C26H28F2N4O3 — CID 167624219

About 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (PubChem CID 167624219) has the molecular formula C26H28F2N4O3 and a molecular weight of 482.53 g/mol. Its IUPAC name is 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

• Compound Name: 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
• PubChem CID: 167624219
• Molecular Formula: C26H28F2N4O3
• Molecular Weight: 482.53 g/mol
• Exact Mass: 482.21
• IUPAC Name: 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
• SMILES: CNC(=O)N1CC2(C1)C(=O)N(c1ccc(C3CC3)cc1)CC(=O)N2Cc1ccc(C(C)(F)F)cc1
• InChI: InChI=1S/C26H28F2N4O3/c1-25(27,28)20-9-3-17(4-10-20)13-32-22(33)14-31(21-11-7-19(8-12-21)18-5-6-18)23(34)26(32)15-30(16-26)24(35)29-2/h3-4,7-12,18H,5-6,13-16H2,1-2H3,(H,29,35)
• InChIKey: MWDKRGRATLUZQZ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.53
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?

The IUPAC name of 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (CID 167624219) is 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.

What is the SMILES notation for 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?

The canonical SMILES for 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is CNC(=O)N1CC2(C1)C(=O)N(c1ccc(C3CC3)cc1)CC(=O)N2Cc1ccc(C(C)(F)F)cc1.

What is the InChIKey of 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?

The InChIKey is MWDKRGRATLUZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O3/c1-25(27,28)20-9-3-17(4-10-20)13-32-22(33)14-31(21-11-7-19(8-12-21)18-5-6-18)23(34)26(32)15-30(16-26)24(35)29-2/h3-4,7-12,18H,5-6,13-16H2,1-2H3,(H,29,35).

What are the key properties of 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?

8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-cyclopropylphenyl)-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 167624219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).