1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione

C19H20N2O2 — CID 2812716

IUPAC1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1cc(C)cc(N2C(=O)CCN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C19H20N2O2/c1-14-10-15(2)12-17(11-14)21-18(22)8-9-20(19(21)23)13-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyBSVGNYMXCQGYAI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.66
Rot. Bonds3

About 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione

1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 2812716) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione
PubChem CID2812716
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1cc(C)cc(N2C(=O)CCN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C19H20N2O2/c1-14-10-15(2)12-17(11-14)21-18(22)8-9-20(19(21)23)13-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyBSVGNYMXCQGYAI-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione (CID 2812716) is 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione is Cc1cc(C)cc(N2C(=O)CCN(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is BSVGNYMXCQGYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-10-15(2)12-17(11-14)21-18(22)8-9-20(19(21)23)13-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3.
What are the key properties of 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione?
1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 308.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 2812716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).