(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

C24H20N2O4 — CID 108763032

IUPAC(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCC(=O)c1c(C)oc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1C#N
InChIInChI=1S/C24H20N2O4/c1-16(27)23-17(2)30-24(21(23)14-25)26-22(28)13-10-18-8-11-20(12-9-18)29-15-19-6-4-3-5-7-19/h3-13H,15H2,1-2H3,(H,26,28)/b13-10+
InChIKeyBXKYKXJMJYNDPY-JLHYYAGUSA-N
MW400.43 g/mol
LogP4.89
Rot. Bonds7

About (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 108763032) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID108763032
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCC(=O)c1c(C)oc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1C#N
InChIInChI=1S/C24H20N2O4/c1-16(27)23-17(2)30-24(21(23)14-25)26-22(28)13-10-18-8-11-20(12-9-18)29-15-19-6-4-3-5-7-19/h3-13H,15H2,1-2H3,(H,26,28)/b13-10+
InChIKeyBXKYKXJMJYNDPY-JLHYYAGUSA-N
XLogP4.89
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 108762986
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 108740273
(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108762975
methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 1191389
(E)-N-(3-bromo-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6260873
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 29194971
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
(E)-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 55784983

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 108763032) is (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is CC(=O)c1c(C)oc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1C#N.
What is the InChIKey of (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is BXKYKXJMJYNDPY-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16(27)23-17(2)30-24(21(23)14-25)26-22(28)13-10-18-8-11-20(12-9-18)29-15-19-6-4-3-5-7-19/h3-13H,15H2,1-2H3,(H,26,28)/b13-10+.
What are the key properties of (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 400.43 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 108763032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).