N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide

C12H22F3NO3 — CID 78873737

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCCN(CC(C)C)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-9(2)7-16(5-6-18-4)11(17)10(3)19-8-12(13,14)15/h9-10H,5-8H2,1-4H3
InChIKeyKQRJIJWOZRPVDN-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.08
Rot. Bonds8

About N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 78873737) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID78873737
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCCN(CC(C)C)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-9(2)7-16(5-6-18-4)11(17)10(3)19-8-12(13,14)15/h9-10H,5-8H2,1-4H3
InChIKeyKQRJIJWOZRPVDN-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Diethyl-2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
CID 71672900
4-(2,3,3,3-Tetrafluoro-2-methoxypropanoyl)morpholine
CID 2828738
1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
1-Pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887329
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
1-(4-Acetylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887347
2-(2-Methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 47030865
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
CID 126771662
2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 10801125
2-methoxy-N-methyl-N-[2-methyl-1-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 164667442
1-(2,6-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893146
1-(2,5-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 53527409

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 78873737) is N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide is COCCN(CC(C)C)C(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is KQRJIJWOZRPVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-9(2)7-16(5-6-18-4)11(17)10(3)19-8-12(13,14)15/h9-10H,5-8H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 285.31 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 78873737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).