3,5-dibenzyl-1,3-diazinane-2,4-dione

C18H18N2O2 — CID 136574184

IUPAC3,5-dibenzyl-1,3-diazinane-2,4-dione
SMILESO=C1NCC(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-16(11-14-7-3-1-4-8-14)12-19-18(22)20(17)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)
InChIKeyLTODDWBFRYADKR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.60
Rot. Bonds4

About 3,5-dibenzyl-1,3-diazinane-2,4-dione

3,5-dibenzyl-1,3-diazinane-2,4-dione (PubChem CID 136574184) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,5-dibenzyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3,5-dibenzyl-1,3-diazinane-2,4-dione
PubChem CID136574184
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3,5-dibenzyl-1,3-diazinane-2,4-dione
SMILESO=C1NCC(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-16(11-14-7-3-1-4-8-14)12-19-18(22)20(17)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)
InChIKeyLTODDWBFRYADKR-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
3-benzyl-5-cyclobutylimidazolidine-2,4-dione
CID 130900496
(3aS,7aR)-2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 795274
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
1,5-dibenzyl-1,3-diazinane-2,4-dione
CID 78176419
(3S)-3-amino-5-benzyl-7-fluoro-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 153379977
(3R,3aS,6aS)-5-benzyl-3,3a-diphenyl-1,2,3,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 175865278
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
(5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156151

Frequently Asked Questions

What is the IUPAC name of 3,5-dibenzyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3,5-dibenzyl-1,3-diazinane-2,4-dione (CID 136574184) is 3,5-dibenzyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3,5-dibenzyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3,5-dibenzyl-1,3-diazinane-2,4-dione is O=C1NCC(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3,5-dibenzyl-1,3-diazinane-2,4-dione?
The InChIKey is LTODDWBFRYADKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17-16(11-14-7-3-1-4-8-14)12-19-18(22)20(17)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22).
What are the key properties of 3,5-dibenzyl-1,3-diazinane-2,4-dione?
3,5-dibenzyl-1,3-diazinane-2,4-dione has a molecular weight of 294.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibenzyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 136574184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).