(E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

C18H16N2O2 — CID 2294329

IUPAC(E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESNC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H16N2O2/c19-18(22)16(13-15-9-5-2-6-10-15)20-17(21)12-11-14-7-3-1-4-8-14/h1-13H,(H2,19,22)(H,20,21)/b12-11+,16-13+
InChIKeyCETUYWZJGFCKFC-VUWKKMCJSA-N
MW292.34 g/mol
LogP2.34
Rot. Bonds5

About (E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

(E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (PubChem CID 2294329) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
PubChem CID2294329
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESNC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H16N2O2/c19-18(22)16(13-15-9-5-2-6-10-15)20-17(21)12-11-14-7-3-1-4-8-14/h1-13H,(H2,19,22)(H,20,21)/b12-11+,16-13+
InChIKeyCETUYWZJGFCKFC-VUWKKMCJSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
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-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (CID 2294329) is (E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is NC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The InChIKey is CETUYWZJGFCKFC-VUWKKMCJSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-18(22)16(13-15-9-5-2-6-10-15)20-17(21)12-11-14-7-3-1-4-8-14/h1-13H,(H2,19,22)(H,20,21)/b12-11+,16-13+.
What are the key properties of (E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
(E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is sourced from PubChem (CID 2294329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).