(E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide

C21H19NO2 — CID 882964

IUPAC(E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H19NO2/c1-15-10-11-20(16(2)13-15)22-21(23)19(14-18-9-6-12-24-18)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,22,23)/b19-14+
InChIKeyNAPLFHFTRPIGJV-XMHGGMMESA-N
MW317.39 g/mol
LogP5.08
Rot. Bonds4

About (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide

(E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 882964) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID882964
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H19NO2/c1-15-10-11-20(16(2)13-15)22-21(23)19(14-18-9-6-12-24-18)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,22,23)/b19-14+
InChIKeyNAPLFHFTRPIGJV-XMHGGMMESA-N
XLogP5.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 882964) is (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide is Cc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1.
What is the InChIKey of (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is NAPLFHFTRPIGJV-XMHGGMMESA-N. The full InChI is InChI=1S/C21H19NO2/c1-15-10-11-20(16(2)13-15)22-21(23)19(14-18-9-6-12-24-18)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,22,23)/b19-14+.
What are the key properties of (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
(E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 882964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).