(Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide

C20H20F3NO4 — CID 97433543

IUPAC(Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C\C(=O)N[C@@H](c2ccc(OC)c(OC)c2)C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO4/c1-26-15-6-4-5-13(11-15)7-10-18(25)24-19(20(21,22)23)14-8-9-16(27-2)17(12-14)28-3/h4-12,19H,1-3H3,(H,24,25)/b10-7-/t19-/m0/s1
InChIKeyXZMZTBPBIWFXHG-KWEPMOPPSA-N
MW395.38 g/mol
LogP4.15
Rot. Bonds7

About (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide

(Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 97433543) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID97433543
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name(Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C\C(=O)N[C@@H](c2ccc(OC)c(OC)c2)C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO4/c1-26-15-6-4-5-13(11-15)7-10-18(25)24-19(20(21,22)23)14-8-9-16(27-2)17(12-14)28-3/h4-12,19H,1-3H3,(H,24,25)/b10-7-/t19-/m0/s1
InChIKeyXZMZTBPBIWFXHG-KWEPMOPPSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(2,2,2-trifluoro-1-phenylethyl)prop-2-enamide
CID 55794805
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(2,2,2-trifluoro-1-phenylethyl)prop-2-enamide
CID 55794683
(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 7948884
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
(E)-N-(1-aminobutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 82354320
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 79252669
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 16572166
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 97433543) is (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C\C(=O)N[C@@H](c2ccc(OC)c(OC)c2)C(F)(F)F)c1.
What is the InChIKey of (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is XZMZTBPBIWFXHG-KWEPMOPPSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-26-15-6-4-5-13(11-15)7-10-18(25)24-19(20(21,22)23)14-8-9-16(27-2)17(12-14)28-3/h4-12,19H,1-3H3,(H,24,25)/b10-7-/t19-/m0/s1.
What are the key properties of (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide?
(Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 395.38 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 97433543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).