(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one

C22H19N3O2 — CID 39346380

IUPAC(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/Nc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O2/c1-27-21-13-7-17(8-14-21)22(26)15-16-23-18-9-11-20(12-10-18)25-24-19-5-3-2-4-6-19/h2-16,23H,1H3/b16-15+,25-24+
InChIKeyBRGSSWUORSDFSG-VDNSQZRBSA-N
MW357.41 g/mol
LogP5.92
Rot. Bonds7

About (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one

(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one (PubChem CID 39346380) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one
PubChem CID39346380
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/Nc2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O2/c1-27-21-13-7-17(8-14-21)22(26)15-16-23-18-9-11-20(12-10-18)25-24-19-5-3-2-4-6-19/h2-16,23H,1H3/b16-15+,25-24+
InChIKeyBRGSSWUORSDFSG-VDNSQZRBSA-N
XLogP5.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346357
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651
1-(4-tert-butylphenyl)-3-[4-(4-methoxyphenoxy)anilino]prop-2-en-1-one
CID 171156907
(E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one
CID 126092569
(E)-1-(4-methylphenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 17088000
3-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 7348792
3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 758643
4-[[3-oxo-3-(4-propan-2-yloxyphenyl)prop-1-enyl]amino]benzoic acid
CID 3507537
(E)-1-(4-chlorophenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 39346442
(E)-3-(3-chloro-4-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6025582
methyl 2-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 101360662
1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
CID 135086544

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one (CID 39346380) is (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one is COc1ccc(C(=O)/C=C/Nc2ccc(/N=N/c3ccccc3)cc2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one?
The InChIKey is BRGSSWUORSDFSG-VDNSQZRBSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-21-13-7-17(8-14-21)22(26)15-16-23-18-9-11-20(12-10-18)25-24-19-5-3-2-4-6-19/h2-16,23H,1H3/b16-15+,25-24+.
What are the key properties of (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one?
(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one has a molecular weight of 357.41 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one is sourced from PubChem (CID 39346380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).