(E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one

C22H19NO — CID 6381384

IUPAC(E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(/NCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO/c24-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)23-17-18-10-4-1-5-11-18/h1-16,23H,17H2/b21-16+
InChIKeyNJFZGEXLQPOXMP-LTGZKZEYSA-N
MW313.40 g/mol
LogP4.70
Rot. Bonds6

About (E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one

(E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one (PubChem CID 6381384) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one
PubChem CID6381384
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(/NCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO/c24-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)23-17-18-10-4-1-5-11-18/h1-16,23H,17H2/b21-16+
InChIKeyNJFZGEXLQPOXMP-LTGZKZEYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
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-(benzylamino)-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one (CID 6381384) is (E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one is O=C(/C=C(/NCc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one?
The InChIKey is NJFZGEXLQPOXMP-LTGZKZEYSA-N. The full InChI is InChI=1S/C22H19NO/c24-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)23-17-18-10-4-1-5-11-18/h1-16,23H,17H2/b21-16+.
What are the key properties of (E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one?
(E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one has a molecular weight of 313.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 6381384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).