(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide

C25H22N2O5 — CID 108762984

IUPAC(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)Nc2oc(C)c(C(C)=O)c2C#N)c2ccccc2)cc1OC
InChIInChI=1S/C25H22N2O5/c1-15(28)23-16(2)32-25(20(23)14-26)27-24(29)19(18-8-6-5-7-9-18)12-17-10-11-21(30-3)22(13-17)31-4/h5-13H,1-4H3,(H,27,29)/b19-12+
InChIKeyZOJLPMYTXWGAMP-XDHOZWIPSA-N
MW430.46 g/mol
LogP4.86
Rot. Bonds7

About (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide

(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 108762984) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
PubChem CID108762984
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)Nc2oc(C)c(C(C)=O)c2C#N)c2ccccc2)cc1OC
InChIInChI=1S/C25H22N2O5/c1-15(28)23-16(2)32-25(20(23)14-26)27-24(29)19(18-8-6-5-7-9-18)12-17-10-11-21(30-3)22(13-17)31-4/h5-13H,1-4H3,(H,27,29)/b19-12+
InChIKeyZOJLPMYTXWGAMP-XDHOZWIPSA-N
XLogP4.86
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108769745
2-[3-[[(E)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enoyl]amino]-4-hydroxyphenyl]acetic acid
CID 108764286
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-phenylprop-2-enoate
CID 131854961
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108763032
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide
CID 108762895
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
CID 108757186
(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108762975
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 108762986
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
(E)-3-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-phenylprop-2-enamide
CID 108767831

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide (CID 108762984) is (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(/C=C(/C(=O)Nc2oc(C)c(C(C)=O)c2C#N)c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is ZOJLPMYTXWGAMP-XDHOZWIPSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-15(28)23-16(2)32-25(20(23)14-26)27-24(29)19(18-8-6-5-7-9-18)12-17-10-11-21(30-3)22(13-17)31-4/h5-13H,1-4H3,(H,27,29)/b19-12+.
What are the key properties of (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 430.46 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 108762984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).