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

C19H21N3O2 — CID 929467

IUPAC(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
SMILESCCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1
InChIInChI=1S/C19H21N3O2/c1-3-22(4-2)18-11-10-17(24-18)12-16(13-20)19(23)21-14-15-8-6-5-7-9-15/h5-12H,3-4,14H2,1-2H3,(H,21,23)/b16-12-
InChIKeyOHYJLYCWDGWWRW-VBKFSLOCSA-N
MW323.40 g/mol
LogP3.35
Rot. Bonds7

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

(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide (PubChem CID 929467) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
PubChem CID929467
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
SMILESCCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1
InChIInChI=1S/C19H21N3O2/c1-3-22(4-2)18-11-10-17(24-18)12-16(13-20)19(23)21-14-15-8-6-5-7-9-15/h5-12H,3-4,14H2,1-2H3,(H,21,23)/b16-12-
InChIKeyOHYJLYCWDGWWRW-VBKFSLOCSA-N
XLogP3.35
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide (CID 929467) is (Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide is CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide?
The InChIKey is OHYJLYCWDGWWRW-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-22(4-2)18-11-10-17(24-18)12-16(13-20)19(23)21-14-15-8-6-5-7-9-15/h5-12H,3-4,14H2,1-2H3,(H,21,23)/b16-12-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide has a molecular weight of 323.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 929467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).