(E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide

C22H23F3N2O3 — CID 117054585

IUPAC(E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C22H23F3N2O3/c1-29-18-8-2-15(3-9-18)4-12-20(28)27-17-6-10-19(11-7-17)30-21-13-5-16(14-26-21)22(23,24)25/h2-5,8-9,12-14,17,19H,6-7,10-11H2,1H3,(H,27,28)/b12-4+
InChIKeyUAFNEBSATBWPML-UUILKARUSA-N
MW420.43 g/mol
LogP4.63
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide (PubChem CID 117054585) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide
PubChem CID117054585
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C22H23F3N2O3/c1-29-18-8-2-15(3-9-18)4-12-20(28)27-17-6-10-19(11-7-17)30-21-13-5-16(14-26-21)22(23,24)25/h2-5,8-9,12-14,17,19H,6-7,10-11H2,1H3,(H,27,28)/b12-4+
InChIKeyUAFNEBSATBWPML-UUILKARUSA-N
XLogP4.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide with MolForge

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Related Compounds

(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide
CID 117054632
(E)-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-3-(4-nitrophenyl)prop-2-enamide
CID 117054686
3-(4-methoxyphenyl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122247607
N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 77104857
(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 103866686
4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide
CID 75534696
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
2-(4-methoxyphenyl)-1-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]ethanone
CID 75367643
(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 46540248
(E)-3-(3-chloro-4-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]prop-2-enamide
CID 55708616

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide (CID 117054585) is (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NC2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide?
The InChIKey is UAFNEBSATBWPML-UUILKARUSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-29-18-8-2-15(3-9-18)4-12-20(28)27-17-6-10-19(11-7-17)30-21-13-5-16(14-26-21)22(23,24)25/h2-5,8-9,12-14,17,19H,6-7,10-11H2,1H3,(H,27,28)/b12-4+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide has a molecular weight of 420.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 117054585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).