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

C21H22N2O2 — CID 2172194

IUPAC(E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(14-12-18-8-3-1-4-9-18)22-16-7-17-23-21(25)15-13-19-10-5-2-6-11-19/h1-6,8-15H,7,16-17H2,(H,22,24)(H,23,25)/b14-12+,15-13+
InChIKeyQNWHJWGNOPDQEM-QUMQEAAQSA-N
MW334.42 g/mol
LogP3.04
Rot. Bonds8

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

(E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide (PubChem CID 2172194) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide
PubChem CID2172194
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(14-12-18-8-3-1-4-9-18)22-16-7-17-23-21(25)15-13-19-10-5-2-6-11-19/h1-6,8-15H,7,16-17H2,(H,22,24)(H,23,25)/b14-12+,15-13+
InChIKeyQNWHJWGNOPDQEM-QUMQEAAQSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.04
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-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide (CID 2172194) is (E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide is O=C(/C=C/c1ccccc1)NCCCNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide?
The InChIKey is QNWHJWGNOPDQEM-QUMQEAAQSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(14-12-18-8-3-1-4-9-18)22-16-7-17-23-21(25)15-13-19-10-5-2-6-11-19/h1-6,8-15H,7,16-17H2,(H,22,24)(H,23,25)/b14-12+,15-13+.
What are the key properties of (E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide?
(E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]prop-2-enamide is sourced from PubChem (CID 2172194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).