2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C9H17F3N2O2 — CID 115571403

IUPAC2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCC(C)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(4-16-3)14-7(2)8(15)13-5-9(10,11)12/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKeyGPPCKINMDRYVDT-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.68
Rot. Bonds6

About 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115571403) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115571403
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCC(C)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(4-16-3)14-7(2)8(15)13-5-9(10,11)12/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKeyGPPCKINMDRYVDT-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 144653484
2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113233685
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113484799
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106254218
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115597064
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 28571144
1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115601463
2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713799
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571452

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115571403) is 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is COCC(C)NC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GPPCKINMDRYVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(4-16-3)14-7(2)8(15)13-5-9(10,11)12/h6-7,14H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 242.24 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115571403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).