(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide

C21H24F2N2O4 — CID 55519028

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCc1ccc(C(CNC(=O)/C=C/c2ccccc2OC(F)F)N2CCOCC2)o1
InChIInChI=1S/C21H24F2N2O4/c1-15-6-8-19(28-15)17(25-10-12-27-13-11-25)14-24-20(26)9-7-16-4-2-3-5-18(16)29-21(22)23/h2-9,17,21H,10-14H2,1H3,(H,24,26)/b9-7+
InChIKeyXTTDEKVIEHPVNQ-VQHVLOKHSA-N
MW406.43 g/mol
LogP3.39
Rot. Bonds8

About (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide

(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide (PubChem CID 55519028) has the molecular formula C21H24F2N2O4 and a molecular weight of 406.43 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
PubChem CID55519028
Molecular FormulaC21H24F2N2O4
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCc1ccc(C(CNC(=O)/C=C/c2ccccc2OC(F)F)N2CCOCC2)o1
InChIInChI=1S/C21H24F2N2O4/c1-15-6-8-19(28-15)17(25-10-12-27-13-11-25)14-24-20(26)9-7-16-4-2-3-5-18(16)29-21(22)23/h2-9,17,21H,10-14H2,1H3,(H,24,26)/b9-7+
InChIKeyXTTDEKVIEHPVNQ-VQHVLOKHSA-N
XLogP3.39
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide
CID 52523158
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 46457175
(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 134056100
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111865235
(E)-3-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 134045662
1-[4-(difluoromethoxy)phenyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987370
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 37152698
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide
CID 26006499
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55538902

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide (CID 55519028) is (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide is Cc1ccc(C(CNC(=O)/C=C/c2ccccc2OC(F)F)N2CCOCC2)o1.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
The InChIKey is XTTDEKVIEHPVNQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H24F2N2O4/c1-15-6-8-19(28-15)17(25-10-12-27-13-11-25)14-24-20(26)9-7-16-4-2-3-5-18(16)29-21(22)23/h2-9,17,21H,10-14H2,1H3,(H,24,26)/b9-7+.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide?
(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide has a molecular weight of 406.43 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 55519028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).