4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide

C17H21F3N2O4 — CID 47059248

IUPAC4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O4/c18-17(19,20)13-1-3-14(4-2-13)26-10-7-21-15(23)5-6-16(24)22-8-11-25-12-9-22/h1-4H,5-12H2,(H,21,23)
InChIKeyOEIQBHMFXXRQMU-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.84
Rot. Bonds7

About 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide

4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide (PubChem CID 47059248) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
PubChem CID47059248
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Name4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O4/c18-17(19,20)13-1-3-14(4-2-13)26-10-7-21-15(23)5-6-16(24)22-8-11-25-12-9-22/h1-4H,5-12H2,(H,21,23)
InChIKeyOEIQBHMFXXRQMU-UHFFFAOYSA-N
XLogP1.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55882256
3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55969709
N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 51125754
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8693249
3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113078078
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
CID 61028358
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25014776
1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 55803507
1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
CID 71911048
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 110921401

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide (CID 47059248) is 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide is O=C(CCC(=O)N1CCOCC1)NCCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide?
The InChIKey is OEIQBHMFXXRQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c18-17(19,20)13-1-3-14(4-2-13)26-10-7-21-15(23)5-6-16(24)22-8-11-25-12-9-22/h1-4H,5-12H2,(H,21,23).
What are the key properties of 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide?
4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide has a molecular weight of 374.36 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide is sourced from PubChem (CID 47059248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).