2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C29H34F3N3O3 — CID 25225878

About 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 25225878) has the molecular formula C29H34F3N3O3 and a molecular weight of 529.60 g/mol. Its IUPAC name is 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
• PubChem CID: 25225878
• Molecular Formula: C29H34F3N3O3
• Molecular Weight: 529.60 g/mol
• Exact Mass: 529.26
• IUPAC Name: 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
• SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N(c2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1=O
• InChI: InChI=1S/C29H34F3N3O3/c1-18(2)22-9-8-10-23(19(3)4)25(22)33-24(36)17-34-26(37)28(15-6-5-7-16-28)35(27(34)38)21-13-11-20(12-14-21)29(30,31)32/h8-14,18-19H,5-7,15-17H2,1-4H3,(H,33,36)
• InChIKey: GKTADNSPFZAYNU-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.60
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The IUPAC name of 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 25225878) is 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N(c2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1=O.

What is the InChIKey of 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The InChIKey is GKTADNSPFZAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N3O3/c1-18(2)22-9-8-10-23(19(3)4)25(22)33-24(36)17-34-26(37)28(15-6-5-7-16-28)35(27(34)38)21-13-11-20(12-14-21)29(30,31)32/h8-14,18-19H,5-7,15-17H2,1-4H3,(H,33,36).

What are the key properties of 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?

2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 529.60 g/mol, XLogP of 7.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-dioxo-1-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 25225878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).