(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide

C19H21N3O3 — CID 767818

IUPAC(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)o1
InChIInChI=1S/C19H21N3O3/c1-4-22(5-2)18-11-10-17(25-18)12-14(13-20)19(23)21-15-6-8-16(24-3)9-7-15/h6-12H,4-5H2,1-3H3,(H,21,23)/b14-12-
InChIKeyXMJHCPJGJRTBBD-OWBHPGMISA-N
MW339.40 g/mol
LogP3.68
Rot. Bonds7

About (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide

(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 767818) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID767818
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)o1
InChIInChI=1S/C19H21N3O3/c1-4-22(5-2)18-11-10-17(25-18)12-14(13-20)19(23)21-15-6-8-16(24-3)9-7-15/h6-12H,4-5H2,1-3H3,(H,21,23)/b14-12-
InChIKeyXMJHCPJGJRTBBD-OWBHPGMISA-N
XLogP3.68
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738798
2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 131852993
(E)-3-(5-bromofuran-2-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 2184164
(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 682401
2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
CID 71437249
(E)-N-(3-bromophenyl)-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 1365972
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 1352213
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 2188253
(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 9211091
(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide
CID 877036
2-[5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 1269175
(E)-2-cyano-3-[2-(diethylamino)-5-nitrophenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 126005067

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide (CID 767818) is (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide is CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)o1.
What is the InChIKey of (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is XMJHCPJGJRTBBD-OWBHPGMISA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-22(5-2)18-11-10-17(25-18)12-14(13-20)19(23)21-15-6-8-16(24-3)9-7-15/h6-12H,4-5H2,1-3H3,(H,21,23)/b14-12-.
What are the key properties of (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 339.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 767818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).