(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide

C18H17N3O4 — CID 879782

IUPAC(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H17N3O4/c19-12-13(18(23)20-14-1-3-15(22)4-2-14)11-16-5-6-17(25-16)21-7-9-24-10-8-21/h1-6,11,22H,7-10H2,(H,20,23)/b13-11+
InChIKeyGQKVRYWUOWUREW-ACCUITESSA-N
MW339.35 g/mol
LogP2.37
Rot. Bonds4

About (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide

(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide (PubChem CID 879782) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
PubChem CID879782
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H17N3O4/c19-12-13(18(23)20-14-1-3-15(22)4-2-14)11-16-5-6-17(25-16)21-7-9-24-10-8-21/h1-6,11,22H,7-10H2,(H,20,23)/b13-11+
InChIKeyGQKVRYWUOWUREW-ACCUITESSA-N
XLogP2.37
TPSA98.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-cyano-N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738798
(E)-2-(Morpholine-4-carbonyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 839237
(Z)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-phenylprop-2-enamide
CID 5727752
2-Cyano-5-furan-2-yl-penta-2,4-dienoic acid (4-methoxy-phenyl)-amide
CID 775089
(Z)-3-(5-Morpholin-4-yl-furan-2-yl)-2-phenyl-acrylonitrile
CID 802293
(Z)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 929419
(E)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 1971752
N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
CID 2086311
(Z)-2-cyano-N-(4-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 1922517
2-(Morpholine-4-carbonyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 839240
(E)-2-Cyano-N-cyclohexyl-3-(5-morpholin-4-yl-furan-2-yl)-acrylamide
CID 929418
2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide
CID 2336188

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide (CID 879782) is (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide is N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
The InChIKey is GQKVRYWUOWUREW-ACCUITESSA-N. The full InChI is InChI=1S/C18H17N3O4/c19-12-13(18(23)20-14-1-3-15(22)4-2-14)11-16-5-6-17(25-16)21-7-9-24-10-8-21/h1-6,11,22H,7-10H2,(H,20,23)/b13-11+.
What are the key properties of (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide has a molecular weight of 339.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 879782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).