2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide

C14H19F3N2O3 — CID 119769186

IUPAC2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1cccc(OCC(F)(F)F)c1C
InChIInChI=1S/C14H19F3N2O3/c1-10-11(19-13(20)8-18-6-7-21-2)4-3-5-12(10)22-9-14(15,16)17/h3-5,18H,6-9H2,1-2H3,(H,19,20)
InChIKeyBBLHRIMBVYOBGN-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.11
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 119769186) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID119769186
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1cccc(OCC(F)(F)F)c1C
InChIInChI=1S/C14H19F3N2O3/c1-10-11(19-13(20)8-18-6-7-21-2)4-3-5-12(10)22-9-14(15,16)17/h3-5,18H,6-9H2,1-2H3,(H,19,20)
InChIKeyBBLHRIMBVYOBGN-UHFFFAOYSA-N
XLogP2.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.11
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

2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769160
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119785490
2-(2-methoxyethylamino)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 119792295
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79281012
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
CID 56824373
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 119745719
2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 119769186) is 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide is COCCNCC(=O)Nc1cccc(OCC(F)(F)F)c1C.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is BBLHRIMBVYOBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-10-11(19-13(20)8-18-6-7-21-2)4-3-5-12(10)22-9-14(15,16)17/h3-5,18H,6-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 320.31 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 119769186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).