5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C23H22N2O3 — CID 67259479

IUPAC5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=CC)C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C23H22N2O3/c1-3-5-17-23(16-4-2)20(26)24(18-12-8-6-9-13-18)22(28)25(21(23)27)19-14-10-7-11-15-19/h3-15H,2,16-17H2,1H3
InChIKeyBJVKCRRJAAFZHI-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.72
Rot. Bonds6

About 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 67259479) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID67259479
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=CC)C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C23H22N2O3/c1-3-5-17-23(16-4-2)20(26)24(18-12-8-6-9-13-18)22(28)25(21(23)27)19-14-10-7-11-15-19/h3-15H,2,16-17H2,1H3
InChIKeyBJVKCRRJAAFZHI-UHFFFAOYSA-N
XLogP4.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-dodec-2-enyl]-1,2-diphenyl-4-prop-2-enylpyrazolidine-3,5-dione
CID 67259837
5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
CID 46210942
4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione
CID 67259370
4-[(E)-but-2-enyl]-1-methyl-4-prop-2-enylpyrazolidine-3,5-dione
CID 67260413
5-methyl-4-methylidene-3-phenyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 46210936
3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
CID 67259157
1,2-diethyl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
CID 67259415
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine
CID 15531693
3,3-diethyl-1-phenylpiperidine-2,6-dione
CID 3028428
2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide
CID 11402284

Frequently Asked Questions

What is the IUPAC name of 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 67259479) is 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(CC=CC)C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is BJVKCRRJAAFZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-3-5-17-23(16-4-2)20(26)24(18-12-8-6-9-13-18)22(28)25(21(23)27)19-14-10-7-11-15-19/h3-15H,2,16-17H2,1H3.
What are the key properties of 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 374.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 67259479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).