6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

C16H21F6N3O3 — CID 165388062

IUPAC6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCCC(C(NC(=O)C(F)(F)F)C(=O)N1CC2C(C1C(N)=O)C2(C)C)C(F)(F)F
InChIInChI=1S/C16H21F6N3O3/c1-4-6(15(17,18)19)9(24-13(28)16(20,21)22)12(27)25-5-7-8(14(7,2)3)10(25)11(23)26/h6-10H,4-5H2,1-3H3,(H2,23,26)(H,24,28)
InChIKeyASYVGRPNXJFVJD-UHFFFAOYSA-N
MW417.35 g/mol
LogP1.59
Rot. Bonds5

About 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 165388062) has the molecular formula C16H21F6N3O3 and a molecular weight of 417.35 g/mol. Its IUPAC name is 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID165388062
Molecular FormulaC16H21F6N3O3
Molecular Weight417.35 g/mol
Exact Mass417.15
IUPAC Name6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCCC(C(NC(=O)C(F)(F)F)C(=O)N1CC2C(C1C(N)=O)C2(C)C)C(F)(F)F
InChIInChI=1S/C16H21F6N3O3/c1-4-6(15(17,18)19)9(24-13(28)16(20,21)22)12(27)25-5-7-8(14(7,2)3)10(25)11(23)26/h6-10H,4-5H2,1-3H3,(H2,23,26)(H,24,28)
InChIKeyASYVGRPNXJFVJD-UHFFFAOYSA-N
XLogP1.59
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 165388062) is 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is CCC(C(NC(=O)C(F)(F)F)C(=O)N1CC2C(C1C(N)=O)C2(C)C)C(F)(F)F.
What is the InChIKey of 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is ASYVGRPNXJFVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F6N3O3/c1-4-6(15(17,18)19)9(24-13(28)16(20,21)22)12(27)25-5-7-8(14(7,2)3)10(25)11(23)26/h6-10H,4-5H2,1-3H3,(H2,23,26)(H,24,28).
What are the key properties of 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 417.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethyl)pentanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 165388062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).