5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione

C21H18N2O5 — CID 177382050

IUPAC5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(COc2ccc(/C=C/C=C3C(=O)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C21H18N2O5/c1-27-16-9-7-15(8-10-16)13-28-17-11-5-14(6-12-17)3-2-4-18-19(24)22-21(26)23-20(18)25/h2-12H,13H2,1H3,(H2,22,23,24,25,26)/b3-2+
InChIKeyVGUSYHCDOORUQO-NSCUHMNNSA-N
MW378.38 g/mol
LogP2.58
Rot. Bonds6

About 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione

5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 177382050) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
PubChem CID177382050
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(COc2ccc(/C=C/C=C3C(=O)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C21H18N2O5/c1-27-16-9-7-15(8-10-16)13-28-17-11-5-14(6-12-17)3-2-4-18-19(24)22-21(26)23-20(18)25/h2-12H,13H2,1H3,(H2,22,23,24,25,26)/b3-2+
InChIKeyVGUSYHCDOORUQO-NSCUHMNNSA-N
XLogP2.58
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-3-[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 177382055
[4-[(E)-3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)prop-1-enyl]phenyl] acetate
CID 177382033
5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1355771
(5Z)-5-[(4-methoxyphenyl)methylidene]-1-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione
CID 2278759
2-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]cyclohexane-1,3-dione
CID 90666998
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine
CID 70594419
5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 2914266
2,3-bis[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]butanedial
CID 72968223
(1E,4Z,6E)-5-hydroxy-7-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)hepta-1,4,6-trien-3-one
CID 127027135
(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-1-en-3-ol
CID 11324417
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126259685

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione (CID 177382050) is 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione is COc1ccc(COc2ccc(/C=C/C=C3C(=O)NC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is VGUSYHCDOORUQO-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-27-16-9-7-15(8-10-16)13-28-17-11-5-14(6-12-17)3-2-4-18-19(24)22-21(26)23-20(18)25/h2-12H,13H2,1H3,(H2,22,23,24,25,26)/b3-2+.
What are the key properties of 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 378.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 177382050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).