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

C20H17NO2 — CID 815934

IUPAC(E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESO=C(NCc1ccccc1)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C20H17NO2/c22-20(21-15-16-8-3-1-4-9-16)19(14-18-12-7-13-23-18)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,22)/b19-14+
InChIKeyMATVNEIOLKUGGP-XMHGGMMESA-N
MW303.36 g/mol
LogP4.14
Rot. Bonds5

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

(E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 815934) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID815934
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESO=C(NCc1ccccc1)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C20H17NO2/c22-20(21-15-16-8-3-1-4-9-16)19(14-18-12-7-13-23-18)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,22)/b19-14+
InChIKeyMATVNEIOLKUGGP-XMHGGMMESA-N
XLogP4.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.14
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-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 815934) is (E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide is O=C(NCc1ccccc1)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is MATVNEIOLKUGGP-XMHGGMMESA-N. The full InChI is InChI=1S/C20H17NO2/c22-20(21-15-16-8-3-1-4-9-16)19(14-18-12-7-13-23-18)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,22)/b19-14+.
What are the key properties of (E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide?
(E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 303.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 815934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).