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

C18H18N2O2 — CID 78176419

IUPAC1,5-dibenzyl-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-16(11-14-7-3-1-4-8-14)13-20(18(22)19-17)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,21,22)
InChIKeyXIDIDWRTEUWKNY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.60
Rot. Bonds4

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

1,5-dibenzyl-1,3-diazinane-2,4-dione (PubChem CID 78176419) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1,5-dibenzyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,5-dibenzyl-1,3-diazinane-2,4-dione
PubChem CID78176419
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1,5-dibenzyl-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-16(11-14-7-3-1-4-8-14)13-20(18(22)19-17)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,21,22)
InChIKeyXIDIDWRTEUWKNY-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

1-benzyl-5-chloro-1,3-diazinane-2,4-dione
CID 78209180
1-benzyl-2,4-dioxo-1,3-diazinane-5-carbonitrile
CID 76844517
(5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide
CID 7035831
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549
3,5-dibenzyl-1,3-diazinane-2,4-dione
CID 136574184
5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 76875693
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
(6S)-4,6-dibenzylthiomorpholin-3-one
CID 101239971
1-[(3-bromophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
CID 76875677
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1,5-dibenzyl-1,3-diazinane-2,4-dione (CID 78176419) is 1,5-dibenzyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,5-dibenzyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,5-dibenzyl-1,3-diazinane-2,4-dione is O=C1NC(=O)N(Cc2ccccc2)CC1Cc1ccccc1.
What is the InChIKey of 1,5-dibenzyl-1,3-diazinane-2,4-dione?
The InChIKey is XIDIDWRTEUWKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17-16(11-14-7-3-1-4-8-14)13-20(18(22)19-17)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,21,22).
What are the key properties of 1,5-dibenzyl-1,3-diazinane-2,4-dione?
1,5-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 1,5-dibenzyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78176419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).