1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione

C21H23N3O2 — CID 24775414

IUPAC1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione
SMILESCCN1C(=O)NC(/C=C/c2ccccc2)(c2ccccc2)N(CC)C1=O
InChIInChI=1S/C21H23N3O2/c1-3-23-19(25)22-21(24(4-2)20(23)26,18-13-9-6-10-14-18)16-15-17-11-7-5-8-12-17/h5-16H,3-4H2,1-2H3,(H,22,25)/b16-15+
InChIKeyLVSXQLACLVMFRD-FOCLMDBBSA-N
MW349.43 g/mol
LogP4.04
Rot. Bonds5

About 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione

1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione (PubChem CID 24775414) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione
PubChem CID24775414
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione
SMILESCCN1C(=O)NC(/C=C/c2ccccc2)(c2ccccc2)N(CC)C1=O
InChIInChI=1S/C21H23N3O2/c1-3-23-19(25)22-21(24(4-2)20(23)26,18-13-9-6-10-14-18)16-15-17-11-7-5-8-12-17/h5-16H,3-4H2,1-2H3,(H,22,25)/b16-15+
InChIKeyLVSXQLACLVMFRD-FOCLMDBBSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione (CID 24775414) is 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione is CCN1C(=O)NC(/C=C/c2ccccc2)(c2ccccc2)N(CC)C1=O.
What is the InChIKey of 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione?
The InChIKey is LVSXQLACLVMFRD-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-23-19(25)22-21(24(4-2)20(23)26,18-13-9-6-10-14-18)16-15-17-11-7-5-8-12-17/h5-16H,3-4H2,1-2H3,(H,22,25)/b16-15+.
What are the key properties of 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione?
1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione has a molecular weight of 349.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 24775414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).