5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione

C14H18N2O2 — CID 167969844

IUPAC5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione
SMILESCC1(C)CNC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-14(2)10-15-13(18)16(12(14)17)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyGNXWQSDCMUOKNW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.81
Rot. Bonds3

About 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione

5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione (PubChem CID 167969844) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione
PubChem CID167969844
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione
SMILESCC1(C)CNC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-14(2)10-15-13(18)16(12(14)17)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyGNXWQSDCMUOKNW-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione (CID 167969844) is 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione is CC1(C)CNC(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione?
The InChIKey is GNXWQSDCMUOKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2)10-15-13(18)16(12(14)17)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18).
What are the key properties of 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione?
5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione has a molecular weight of 246.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167969844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).