(3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide

About (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide

(3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide (PubChem CID 167481633) has the molecular formula C21H36F3N3O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Name	(3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide
PubChem CID	167481633
Molecular Formula	C21H36F3N3O4
Molecular Weight	451.53 g/mol
Exact Mass	451.27
IUPAC Name	(3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide
SMILES	CC(C)NC=O.C[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CCC1.NC(=O)C(F)(F)F
InChI	InChI=1S/C15H25NO2.C4H9NO.C2H2F3NO/c1-10(18-11-5-4-6-11)7-14(17)16-8-12-13(9-16)15(12,2)3;1-4(2)5-3-6;3-2(4,5)1(6)7/h10-13H,4-9H2,1-3H3;3-4H,1-2H3,(H,5,6);(H2,6,7)/t10-,12?,13?;;/m1../s1
InChIKey	FETZRJZAORVBHY-SCPJLJTCSA-N
XLogP	2.62
TPSA	101.73 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide?

The IUPAC name of (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide (CID 167481633) is (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide.

What is the SMILES notation for (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide?

The canonical SMILES for (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide is CC(C)NC=O.C[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CCC1.NC(=O)C(F)(F)F.

What is the InChIKey of (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide?

The InChIKey is FETZRJZAORVBHY-SCPJLJTCSA-N. The full InChI is InChI=1S/C15H25NO2.C4H9NO.C2H2F3NO/c1-10(18-11-5-4-6-11)7-14(17)16-8-12-13(9-16)15(12,2)3;1-4(2)5-3-6;3-2(4,5)1(6)7/h10-13H,4-9H2,1-3H3;3-4H,1-2H3,(H,5,6);(H2,6,7)/t10-,12?,13?;;/m1../s1.

What are the key properties of (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide?

(3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide has a molecular weight of 451.53 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide is sourced from PubChem (CID 167481633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).