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

C20H20N2O2 — CID 6000766

IUPAC(E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,23)(H,22,24)/b13-11+,14-12+
InChIKeyKRKHZGROVOQDOS-PHEQNACWSA-N
MW320.39 g/mol
LogP2.65
Rot. Bonds7

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

(E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide (PubChem CID 6000766) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
PubChem CID6000766
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,23)(H,22,24)/b13-11+,14-12+
InChIKeyKRKHZGROVOQDOS-PHEQNACWSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide (CID 6000766) is (E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide is O=C(/C=C/c1ccccc1)NCCNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide?
The InChIKey is KRKHZGROVOQDOS-PHEQNACWSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,23)(H,22,24)/b13-11+,14-12+.
What are the key properties of (E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide?
(E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide has a molecular weight of 320.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 6000766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).