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

C21H19N3O3 — CID 1360413

IUPAC(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(/C=C/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H19N3O3/c1-23(2)16-13-11-15(12-14-16)7-6-10-18-19(25)22-21(27)24(20(18)26)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,22,25,27)/b7-6+,18-10-
InChIKeyWSBFTODMEZTVBC-WNQIWMROSA-N
MW361.40 g/mol
LogP2.98
Rot. Bonds4

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

(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 1360413) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID1360413
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(/C=C/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H19N3O3/c1-23(2)16-13-11-15(12-14-16)7-6-10-18-19(25)22-21(27)24(20(18)26)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,22,25,27)/b7-6+,18-10-
InChIKeyWSBFTODMEZTVBC-WNQIWMROSA-N
XLogP2.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione (CID 1360413) is (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione is CN(C)c1ccc(/C=C/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WSBFTODMEZTVBC-WNQIWMROSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-23(2)16-13-11-15(12-14-16)7-6-10-18-19(25)22-21(27)24(20(18)26)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,22,25,27)/b7-6+,18-10-.
What are the key properties of (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione?
(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 361.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1360413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).