N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide

C16H19F3N2O4 — CID 56880091

IUPACN-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(C(=O)N2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H19F3N2O4/c1-11(22)20-6-8-24-13-4-2-12(3-5-13)15(23)21-7-9-25-14(10-21)16(17,18)19/h2-5,14H,6-10H2,1H3,(H,20,22)
InChIKeyVBUZOODMCQQFTK-UHFFFAOYSA-N
MW360.33 g/mol
LogP1.60
Rot. Bonds5

About N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide

N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide (PubChem CID 56880091) has the molecular formula C16H19F3N2O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide
PubChem CID56880091
Molecular FormulaC16H19F3N2O4
Molecular Weight360.33 g/mol
Exact Mass360.13
IUPAC NameN-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(C(=O)N2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H19F3N2O4/c1-11(22)20-6-8-24-13-4-2-12(3-5-13)15(23)21-7-9-25-14(10-21)16(17,18)19/h2-5,14H,6-10H2,1H3,(H,20,22)
InChIKeyVBUZOODMCQQFTK-UHFFFAOYSA-N
XLogP1.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide
CID 56876543
N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 56878321
[2-(bromomethyl)morpholin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 116629329
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95509697
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
N-[2-[4-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]phenoxy]ethyl]acetamide
CID 97148392
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
CID 110352712
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide (CID 56880091) is N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide is CC(=O)NCCOc1ccc(C(=O)N2CCOC(C(F)(F)F)C2)cc1.
What is the InChIKey of N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide?
The InChIKey is VBUZOODMCQQFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O4/c1-11(22)20-6-8-24-13-4-2-12(3-5-13)15(23)21-7-9-25-14(10-21)16(17,18)19/h2-5,14H,6-10H2,1H3,(H,20,22).
What are the key properties of N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide?
N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide has a molecular weight of 360.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide is sourced from PubChem (CID 56880091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).