ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine

C12H26F3N3O2 — CID 142596604

IUPACethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine
SMILESC1CCNC1.CC.COCC(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C6H11F3N2O2.C4H9N.C2H6/c1-13-2-4(5(10)12)11-3-6(7,8)9;1-2-4-5-3-1;1-2/h4,11H,2-3H2,1H3,(H2,10,12);5H,1-4H2;1-2H3
InChIKeyQMHQDCXRJXKGLB-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.03
Rot. Bonds5

About ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine

ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine (PubChem CID 142596604) has the molecular formula C12H26F3N3O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine.

Molecular Properties

Compound Nameethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine
PubChem CID142596604
Molecular FormulaC12H26F3N3O2
Molecular Weight301.35 g/mol
Exact Mass301.20
IUPAC Nameethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine
SMILESC1CCNC1.CC.COCC(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C6H11F3N2O2.C4H9N.C2H6/c1-13-2-4(5(10)12)11-3-6(7,8)9;1-2-4-5-3-1;1-2/h4,11H,2-3H2,1H3,(H2,10,12);5H,1-4H2;1-2H3
InChIKeyQMHQDCXRJXKGLB-UHFFFAOYSA-N
XLogP1.03
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine 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 ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine?
The IUPAC name of ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine (CID 142596604) is ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine.
What is the SMILES notation for ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine?
The canonical SMILES for ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine is C1CCNC1.CC.COCC(NCC(F)(F)F)C(N)=O.
What is the InChIKey of ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine?
The InChIKey is QMHQDCXRJXKGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2.C4H9N.C2H6/c1-13-2-4(5(10)12)11-3-6(7,8)9;1-2-4-5-3-1;1-2/h4,11H,2-3H2,1H3,(H2,10,12);5H,1-4H2;1-2H3.
What are the key properties of ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine?
ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine has a molecular weight of 301.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine is sourced from PubChem (CID 142596604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).