N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide

C27H38F3N5O5 — CID 167480990

About N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide

N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 167480990) has the molecular formula C27H38F3N5O5 and a molecular weight of 569.63 g/mol. Its IUPAC name is N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide
• PubChem CID: 167480990
• Molecular Formula: C27H38F3N5O5
• Molecular Weight: 569.63 g/mol
• Exact Mass: 569.28
• IUPAC Name: N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide
• SMILES: CC(OC1CC1)C(C=O)NC(=O)C(F)(F)F.CN1CC2C(C1C(=O)NC(C#N)CC1CC3(CC3)NC1=O)C2(C)C
• InChI: InChI=1S/C18H26N4O2.C9H12F3NO3/c1-17(2)12-9-22(3)14(13(12)17)16(24)20-11(8-19)6-10-7-18(4-5-18)21-15(10)23;1-5(16-6-2-3-6)7(4-14)13-8(15)9(10,11)12/h10-14H,4-7,9H2,1-3H3,(H,20,24)(H,21,23);4-7H,2-3H2,1H3,(H,13,15)
• InChIKey: LZCFHXWTIYJNGM-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 140.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.63
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide?

The IUPAC name of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide (CID 167480990) is N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide is CC(OC1CC1)C(C=O)NC(=O)C(F)(F)F.CN1CC2C(C1C(=O)NC(C#N)CC1CC3(CC3)NC1=O)C2(C)C.

What is the InChIKey of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide?

The InChIKey is LZCFHXWTIYJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.C9H12F3NO3/c1-17(2)12-9-22(3)14(13(12)17)16(24)20-11(8-19)6-10-7-18(4-5-18)21-15(10)23;1-5(16-6-2-3-6)7(4-14)13-8(15)9(10,11)12/h10-14H,4-7,9H2,1-3H3,(H,20,24)(H,21,23);4-7H,2-3H2,1H3,(H,13,15).

What are the key properties of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide?

N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 569.63 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;N-(3-cyclopropyloxy-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 167480990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).