N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide

C15H23F3N4O4 — CID 166157150

IUPACN-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide
SMILESCC(NC=O)C(N)=O.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21
InChIInChI=1S/C11H15F3N2O2.C4H8N2O2/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;1-3(4(5)8)6-2-7/h6-7H,3-5H2,1-2H3,(H,15,18);2-3H,1H3,(H2,5,8)(H,6,7)
InChIKeyIVQUTHZFKVEFKS-UHFFFAOYSA-N
MW380.37 g/mol
LogP-0.61
Rot. Bonds5

About N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide

N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide (PubChem CID 166157150) has the molecular formula C15H23F3N4O4 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide.

Molecular Properties

Compound NameN-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide
PubChem CID166157150
Molecular FormulaC15H23F3N4O4
Molecular Weight380.37 g/mol
Exact Mass380.17
IUPAC NameN-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide
SMILESCC(NC=O)C(N)=O.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21
InChIInChI=1S/C11H15F3N2O2.C4H8N2O2/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;1-3(4(5)8)6-2-7/h6-7H,3-5H2,1-2H3,(H,15,18);2-3H,1H3,(H2,5,8)(H,6,7)
InChIKeyIVQUTHZFKVEFKS-UHFFFAOYSA-N
XLogP-0.61
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide 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 N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide?
The IUPAC name of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide (CID 166157150) is N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide.
What is the SMILES notation for N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide?
The canonical SMILES for N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide is CC(NC=O)C(N)=O.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.
What is the InChIKey of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide?
The InChIKey is IVQUTHZFKVEFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2.C4H8N2O2/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;1-3(4(5)8)6-2-7/h6-7H,3-5H2,1-2H3,(H,15,18);2-3H,1H3,(H2,5,8)(H,6,7).
What are the key properties of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide?
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide has a molecular weight of 380.37 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide is sourced from PubChem (CID 166157150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).