(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one

C20H22N2O — CID 52936700

IUPAC(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one
SMILESCNc1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-21-18-10-4-16(5-11-18)8-14-20(23)15-9-17-6-12-19(13-7-17)22(2)3/h4-15,21H,1-3H3/b14-8+,15-9+
InChIKeyGIZXIYFREQIMCC-VOMDNODZSA-N
MW306.41 g/mol
LogP4.09
Rot. Bonds6

About (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one

(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one (PubChem CID 52936700) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one
PubChem CID52936700
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one
SMILESCNc1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-21-18-10-4-16(5-11-18)8-14-20(23)15-9-17-6-12-19(13-7-17)22(2)3/h4-15,21H,1-3H3/b14-8+,15-9+
InChIKeyGIZXIYFREQIMCC-VOMDNODZSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
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 (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one (CID 52936700) is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one is CNc1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one?
The InChIKey is GIZXIYFREQIMCC-VOMDNODZSA-N. The full InChI is InChI=1S/C20H22N2O/c1-21-18-10-4-16(5-11-18)8-14-20(23)15-9-17-6-12-19(13-7-17)22(2)3/h4-15,21H,1-3H3/b14-8+,15-9+.
What are the key properties of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one?
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one has a molecular weight of 306.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one is sourced from PubChem (CID 52936700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).