2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide

C19H21N3O2 — CID 71437249

IUPAC2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
SMILESCCN(CC)c1ccc(C=C(C#N)C(=O)Nc2cccc(C)c2)o1
InChIInChI=1S/C19H21N3O2/c1-4-22(5-2)18-10-9-17(24-18)12-15(13-20)19(23)21-16-8-6-7-14(3)11-16/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyNHRVGKFUTCYESH-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.98
Rot. Bonds6

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

2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide (PubChem CID 71437249) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
PubChem CID71437249
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
SMILESCCN(CC)c1ccc(C=C(C#N)C(=O)Nc2cccc(C)c2)o1
InChIInChI=1S/C19H21N3O2/c1-4-22(5-2)18-10-9-17(24-18)12-15(13-20)19(23)21-16-8-6-7-14(3)11-16/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyNHRVGKFUTCYESH-UHFFFAOYSA-N
XLogP3.98
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-(3-bromophenyl)-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 1365972
2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 131852993
(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 767818
(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide
CID 877036
(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858717
(E)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
CID 1354810
2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 3828675
(Z)-2-cyano-N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713580
(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide
CID 19574846
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)prop-2-enamide
CID 2713584
2-cyano-N-(3-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 958696
(Z)-2-cyano-N-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 124624476

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide (CID 71437249) is 2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide is CCN(CC)c1ccc(C=C(C#N)C(=O)Nc2cccc(C)c2)o1.
What is the InChIKey of 2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is NHRVGKFUTCYESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-22(5-2)18-10-9-17(24-18)12-15(13-20)19(23)21-16-8-6-7-14(3)11-16/h6-12H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide?
2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 323.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 71437249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).