3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione

C15H18N2O2 — CID 116658407

IUPAC3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1ccccc1N1CCC(=O)N(C2CCC2)C1=O
InChIInChI=1S/C15H18N2O2/c1-11-5-2-3-8-13(11)16-10-9-14(18)17(15(16)19)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3
InChIKeyZFTSZUDVUQZXPV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.71
Rot. Bonds2

About 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione

3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 116658407) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione
PubChem CID116658407
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1ccccc1N1CCC(=O)N(C2CCC2)C1=O
InChIInChI=1S/C15H18N2O2/c1-11-5-2-3-8-13(11)16-10-9-14(18)17(15(16)19)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3
InChIKeyZFTSZUDVUQZXPV-UHFFFAOYSA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclobutyl-1-(2-methylphenyl)-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 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione (CID 116658407) is 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione is Cc1ccccc1N1CCC(=O)N(C2CCC2)C1=O.
What is the InChIKey of 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is ZFTSZUDVUQZXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-5-2-3-8-13(11)16-10-9-14(18)17(15(16)19)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3.
What are the key properties of 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 116658407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).