(E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione

C23H19NO4 — CID 177386249

IUPAC(E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
SMILESCOc1ccc(N(O)/C(=C/C(=O)c2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO4/c1-28-20-14-12-19(13-15-20)24(27)21(23(26)18-10-6-3-7-11-18)16-22(25)17-8-4-2-5-9-17/h2-16,27H,1H3/b21-16+
InChIKeyDFUYVPPGZQZFML-LTGZKZEYSA-N
MW373.41 g/mol
LogP4.54
Rot. Bonds7

About (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione

(E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione (PubChem CID 177386249) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione.

Molecular Properties

Compound Name(E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
PubChem CID177386249
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name(E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
SMILESCOc1ccc(N(O)/C(=C/C(=O)c2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO4/c1-28-20-14-12-19(13-15-20)24(27)21(23(26)18-10-6-3-7-11-18)16-22(25)17-8-4-2-5-9-17/h2-16,27H,1H3/b21-16+
InChIKeyDFUYVPPGZQZFML-LTGZKZEYSA-N
XLogP4.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
CID 619819
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
(Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione
CID 6063122
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
CID 3777683
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226

Frequently Asked Questions

What is the IUPAC name of (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione?
The IUPAC name of (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione (CID 177386249) is (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione.
What is the SMILES notation for (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione?
The canonical SMILES for (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione is COc1ccc(N(O)/C(=C/C(=O)c2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione?
The InChIKey is DFUYVPPGZQZFML-LTGZKZEYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-28-20-14-12-19(13-15-20)24(27)21(23(26)18-10-6-3-7-11-18)16-22(25)17-8-4-2-5-9-17/h2-16,27H,1H3/b21-16+.
What are the key properties of (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione?
(E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione has a molecular weight of 373.41 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione is sourced from PubChem (CID 177386249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).