N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

C11H21F3N2O3 — CID 60734536

IUPACN-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O3/c1-9(10(17)16-4-3-6-18-2)15-5-7-19-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyREDHJKHGTQBHPT-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.70
Rot. Bonds10

About N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (PubChem CID 60734536) has the molecular formula C11H21F3N2O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
PubChem CID60734536
Molecular FormulaC11H21F3N2O3
Molecular Weight286.29 g/mol
Exact Mass286.15
IUPAC NameN-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O3/c1-9(10(17)16-4-3-6-18-2)15-5-7-19-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyREDHJKHGTQBHPT-UHFFFAOYSA-N
XLogP0.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-(N-2-methoxyethylcarbamoylcarbonylamino)butane
CID 51896499
Ethyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 14331237
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
Butyl N-(trifluoroacetyl)-alpha-aminobutyrate
CID 535338
Ethyl 3,3,3-trifluoro-2-(propanoylamino)propanoate
CID 4341681
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700797
2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240
2-amino-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81082032
Glycyl-alanyl-glycine Methyl Ester Trifluoroacetate
CID 86735587
Methyl 2-[2-[(2-aminoacetyl)amino]propanoylamino]acetate;2,2,2-trifluoroacetic acid
CID 88813030
(2R)-2-acetamido-N-(fluoromethyl)-3-methoxypropanamide
CID 88914306
2-[[(2R)-2-aminopropanoyl]amino]ethyl 2,2,2-trifluoroacetate
CID 89421100

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (CID 60734536) is N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is COCCCNC(=O)C(C)NCCOCC(F)(F)F.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The InChIKey is REDHJKHGTQBHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3/c1-9(10(17)16-4-3-6-18-2)15-5-7-19-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide has a molecular weight of 286.29 g/mol, XLogP of 0.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is sourced from PubChem (CID 60734536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).