N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide

C17H19F3N2O3 — CID 167945819

IUPACN-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)N2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H19F3N2O3/c1-2-15(23)21-13-6-3-12(4-7-13)5-8-16(24)22-9-10-25-14(11-22)17(18,19)20/h2-4,6-7,14H,1,5,8-11H2,(H,21,23)
InChIKeyNUIYNFMDUKUZGR-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.53
Rot. Bonds5

About N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide

N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide (PubChem CID 167945819) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide
PubChem CID167945819
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC NameN-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)N2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H19F3N2O3/c1-2-15(23)21-13-6-3-12(4-7-13)5-8-16(24)22-9-10-25-14(11-22)17(18,19)20/h2-4,6-7,14H,1,5,8-11H2,(H,21,23)
InChIKeyNUIYNFMDUKUZGR-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95724984
2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95426731
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
N-[4-[3-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 166421909
1-(2-tert-butylmorpholin-4-yl)-3-(3,4-dihydroxyphenyl)propan-1-one
CID 137429418
2-(benzylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 154892255
N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 56878321
2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 168940341
N-[4-[3-oxo-3-(2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)propyl]phenyl]prop-2-enamide
CID 166422002
N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 166421996
N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 167849410
(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide
CID 95174211

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide (CID 167945819) is N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CCC(=O)N2CCOC(C(F)(F)F)C2)cc1.
What is the InChIKey of N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide?
The InChIKey is NUIYNFMDUKUZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-2-15(23)21-13-6-3-12(4-7-13)5-8-16(24)22-9-10-25-14(11-22)17(18,19)20/h2-4,6-7,14H,1,5,8-11H2,(H,21,23).
What are the key properties of N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide?
N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide has a molecular weight of 356.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide is sourced from PubChem (CID 167945819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).