(E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide

C20H17NO2 — CID 882543

IUPAC(E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide
SMILESCc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C20H17NO2/c1-15-8-5-6-12-19(15)21-20(22)18(14-17-11-7-13-23-17)16-9-3-2-4-10-16/h2-14H,1H3,(H,21,22)/b18-14+
InChIKeyPMBQCTYYXDXHHL-NBVRZTHBSA-N
MW303.36 g/mol
LogP4.77
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide

(E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide (PubChem CID 882543) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide
PubChem CID882543
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide
SMILESCc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C20H17NO2/c1-15-8-5-6-12-19(15)21-20(22)18(14-17-11-7-13-23-17)16-9-3-2-4-10-16/h2-14H,1H3,(H,21,22)/b18-14+
InChIKeyPMBQCTYYXDXHHL-NBVRZTHBSA-N
XLogP4.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.77
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)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide (CID 882543) is (E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide is Cc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide?
The InChIKey is PMBQCTYYXDXHHL-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H17NO2/c1-15-8-5-6-12-19(15)21-20(22)18(14-17-11-7-13-23-17)16-9-3-2-4-10-16/h2-14H,1H3,(H,21,22)/b18-14+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide has a molecular weight of 303.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(2-methylphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 882543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).