2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide

C25H38F3N5O5 — CID 167481115

About 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide

2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide (PubChem CID 167481115) has the molecular formula C25H38F3N5O5 and a molecular weight of 545.60 g/mol. Its IUPAC name is 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide
• PubChem CID: 167481115
• Molecular Formula: C25H38F3N5O5
• Molecular Weight: 545.60 g/mol
• Exact Mass: 545.28
• IUPAC Name: 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide
• SMILES: CC1(C)C2CN(C(=O)CC3CC3)CC21.CNC(=O)C(CC1CC2(CC2)NC1=O)NC=O.NC(=O)C(F)(F)F
• InChI: InChI=1S/C12H19NO.C11H17N3O3.C2H2F3NO/c1-12(2)9-6-13(7-10(9)12)11(14)5-8-3-4-8;1-12-10(17)8(13-6-15)4-7-5-11(2-3-11)14-9(7)16;3-2(4,5)1(6)7/h8-10H,3-7H2,1-2H3;6-8H,2-5H2,1H3,(H,12,17)(H,13,15)(H,14,16);(H2,6,7)
• InChIKey: UFAIFFDMSTWNRI-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 150.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.60
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide?

The IUPAC name of 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide (CID 167481115) is 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide.

What is the SMILES notation for 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide?

The canonical SMILES for 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide is CC1(C)C2CN(C(=O)CC3CC3)CC21.CNC(=O)C(CC1CC2(CC2)NC1=O)NC=O.NC(=O)C(F)(F)F.

What is the InChIKey of 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide?

The InChIKey is UFAIFFDMSTWNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C11H17N3O3.C2H2F3NO/c1-12(2)9-6-13(7-10(9)12)11(14)5-8-3-4-8;1-12-10(17)8(13-6-15)4-7-5-11(2-3-11)14-9(7)16;3-2(4,5)1(6)7/h8-10H,3-7H2,1-2H3;6-8H,2-5H2,1H3,(H,12,17)(H,13,15)(H,14,16);(H2,6,7).

What are the key properties of 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide?

2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide has a molecular weight of 545.60 g/mol, XLogP of 0.84, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone;2-formamido-N-methyl-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide is sourced from PubChem (CID 167481115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).