N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane

C30H35F4N5O4 — CID 144940544

About N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane

N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane (PubChem CID 144940544) has the molecular formula C30H35F4N5O4 and a molecular weight of 605.63 g/mol. Its IUPAC name is N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane.

Molecular Properties

• Compound Name: N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane
• PubChem CID: 144940544
• Molecular Formula: C30H35F4N5O4
• Molecular Weight: 605.63 g/mol
• Exact Mass: 605.26
• IUPAC Name: N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane
• SMILES: CC.CC.CN1C(=O)N(Cc2cccc(C#N)c2)C2(CCN(C(=O)CNC(=O)c3cc(C(F)(F)F)ccc3F)CC2)C1=O
• InChI: InChI=1S/C26H23F4N5O4.2C2H6/c1-33-23(38)25(35(24(33)39)15-17-4-2-3-16(11-17)13-31)7-9-34(10-8-25)21(36)14-32-22(37)19-12-18(26(28,29)30)5-6-20(19)27;2*1-2/h2-6,11-12H,7-10,14-15H2,1H3,(H,32,37);2*1-2H3
• InChIKey: CSIYGPLDDPSINT-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 113.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.63
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane?

The IUPAC name of N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane (CID 144940544) is N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane.

What is the SMILES notation for N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane?

The canonical SMILES for N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane is CC.CC.CN1C(=O)N(Cc2cccc(C#N)c2)C2(CCN(C(=O)CNC(=O)c3cc(C(F)(F)F)ccc3F)CC2)C1=O.

What is the InChIKey of N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane?

The InChIKey is CSIYGPLDDPSINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O4.2C2H6/c1-33-23(38)25(35(24(33)39)15-17-4-2-3-16(11-17)13-31)7-9-34(10-8-25)21(36)14-32-22(37)19-12-18(26(28,29)30)5-6-20(19)27;2*1-2/h2-6,11-12H,7-10,14-15H2,1H3,(H,32,37);2*1-2H3.

What are the key properties of N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane?

N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane has a molecular weight of 605.63 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[(3-cyanophenyl)methyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-5-(trifluoromethyl)benzamide;ethane is sourced from PubChem (CID 144940544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).