3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

C8H15F3N2O2 — CID 63827067

IUPAC3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCNCCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-12-3-2-7(14)13-4-5-15-6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyLBLRTCAQVVIEOB-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.29
Rot. Bonds7

About 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (PubChem CID 63827067) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
PubChem CID63827067
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCNCCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-12-3-2-7(14)13-4-5-15-6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyLBLRTCAQVVIEOB-UHFFFAOYSA-N
XLogP0.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methoxyethyl)propanamide
CID 16783560
3-Amino-N-(2-methoxyethyl)propanamide hydrochloride
CID 56832081
1-Oxa-4,8-diazacycloundecan-5-one
CID 110201627
3-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methylpropanamide
CID 126783848
2,2,2-Trifluoro-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3254694
N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 37981198
3-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700556
N-[2-(difluoromethoxy)ethyl]-2-methylpropanamide
CID 57886985
2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 59874137
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 60730648
N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide
CID 62492523
2,2,2-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 78917066

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (CID 63827067) is 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is CNCCC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The InChIKey is LBLRTCAQVVIEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-12-3-2-7(14)13-4-5-15-6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide has a molecular weight of 228.21 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is sourced from PubChem (CID 63827067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).