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

C9H17F3N2O2 — CID 103512606

IUPACN-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCNC(C)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(13-2)5-14-8(15)3-4-16-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyFIIPSROEAAPOQV-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.68
Rot. Bonds7

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

N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103512606) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103512606
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCNC(C)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(13-2)5-14-8(15)3-4-16-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyFIIPSROEAAPOQV-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]butanoic acid
CID 65215233
N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103770915
N-(2-chloro-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107157536
3-methoxy-N-[2-(methylamino)propyl]propanamide
CID 103512714
N-(2-bromo-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107156756
2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide
CID 107362626
N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212739
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
N-(4-chlorobutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212622
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
CID 115410172
N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917
N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 120830158

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103512606) is N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide is CNC(C)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FIIPSROEAAPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(13-2)5-14-8(15)3-4-16-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 242.24 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103512606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).