2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate

C20H19NO3 — CID 6434370

IUPAC2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)NCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H19NO3/c22-19(13-11-17-7-3-1-4-8-17)21-15-16-24-20(23)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,22)/b13-11+,14-12+
InChIKeyQMOVVLYBZSQZKG-PHEQNACWSA-N
MW321.38 g/mol
LogP3.07
Rot. Bonds7

About 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate

2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate (PubChem CID 6434370) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate
PubChem CID6434370
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)NCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H19NO3/c22-19(13-11-17-7-3-1-4-8-17)21-15-16-24-20(23)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,22)/b13-11+,14-12+
InChIKeyQMOVVLYBZSQZKG-PHEQNACWSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate?
The IUPAC name of 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate (CID 6434370) is 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)NCCOC(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate?
The InChIKey is QMOVVLYBZSQZKG-PHEQNACWSA-N. The full InChI is InChI=1S/C20H19NO3/c22-19(13-11-17-7-3-1-4-8-17)21-15-16-24-20(23)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,22)/b13-11+,14-12+.
What are the key properties of 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate?
2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate has a molecular weight of 321.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 6434370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).