(E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide

C16H14N2O — CID 46838808

IUPAC(E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C16H14N2O/c19-16(12-11-14-7-3-1-4-8-14)18-17-13-15-9-5-2-6-10-15/h1-13H,(H,18,19)/b12-11+,17-13+
InChIKeyHDNAMUMBIQDFKF-AETJLUGGSA-N
MW250.30 g/mol
LogP2.85
Rot. Bonds4

About (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide

(E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide (PubChem CID 46838808) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide
PubChem CID46838808
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C16H14N2O/c19-16(12-11-14-7-3-1-4-8-14)18-17-13-15-9-5-2-6-10-15/h1-13H,(H,18,19)/b12-11+,17-13+
InChIKeyHDNAMUMBIQDFKF-AETJLUGGSA-N
XLogP2.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide (CID 46838808) is (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N/N=C/c1ccccc1.
What is the InChIKey of (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide?
The InChIKey is HDNAMUMBIQDFKF-AETJLUGGSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16(12-11-14-7-3-1-4-8-14)18-17-13-15-9-5-2-6-10-15/h1-13H,(H,18,19)/b12-11+,17-13+.
What are the key properties of (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide?
(E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide has a molecular weight of 250.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-benzylideneamino]-3-phenylprop-2-enamide is sourced from PubChem (CID 46838808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).