3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide

C7H13F3N2O2 — CID 144653484

IUPAC3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCNC(COC)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-11-5(3-14-2)6(13)12-4-7(8,9)10/h5,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyCISRBLBSMYSMNT-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.10
Rot. Bonds5

About 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide

3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 144653484) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID144653484
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCNC(COC)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-11-5(3-14-2)6(13)12-4-7(8,9)10/h5,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyCISRBLBSMYSMNT-UHFFFAOYSA-N
XLogP-0.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571403
[(3R)-4-methoxy-3-(methylamino)butyl] N-(2,2,2-trifluoroethyl)carbamate;molecular hydrogen
CID 144589468
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106254218
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]azanium chloride
CID 90216700
1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115601463
2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 89141345
2-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 90734304
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 81082824

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 144653484) is 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide is CNC(COC)C(=O)NCC(F)(F)F.
What is the InChIKey of 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CISRBLBSMYSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-11-5(3-14-2)6(13)12-4-7(8,9)10/h5,11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide?
3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 214.19 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 144653484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).