(E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one

C19H22N2O — CID 5378424

IUPAC(E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one
SMILESCN(C)c1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-20(2)17-10-5-15(6-11-17)7-14-19(22)16-8-12-18(13-9-16)21(3)4/h5-14H,1-4H3/b14-7+
InChIKeyYFMNMPLJIWVXER-VGOFMYFVSA-N
MW294.40 g/mol
LogP3.71
Rot. Bonds5

About (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one

(E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one (PubChem CID 5378424) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one
PubChem CID5378424
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one
SMILESCN(C)c1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-20(2)17-10-5-15(6-11-17)7-14-19(22)16-8-12-18(13-9-16)21(3)4/h5-14H,1-4H3/b14-7+
InChIKeyYFMNMPLJIWVXER-VGOFMYFVSA-N
XLogP3.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', '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)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one (CID 5378424) is (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one is CN(C)c1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one?
The InChIKey is YFMNMPLJIWVXER-VGOFMYFVSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20(2)17-10-5-15(6-11-17)7-14-19(22)16-8-12-18(13-9-16)21(3)4/h5-14H,1-4H3/b14-7+.
What are the key properties of (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one?
(E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one has a molecular weight of 294.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one is sourced from PubChem (CID 5378424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).