3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione

C16H27NO3 — CID 20872089

IUPAC3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione
SMILESCCCCn1c(=O)oc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C16H27NO3/c1-8-9-10-17-13(18)11(15(2,3)4)12(16(5,6)7)20-14(17)19/h8-10H2,1-7H3
InChIKeyBDOWBPCDLGBOCI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds3

About 3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione

3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione (PubChem CID 20872089) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione
PubChem CID20872089
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione
SMILESCCCCn1c(=O)oc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C16H27NO3/c1-8-9-10-17-13(18)11(15(2,3)4)12(16(5,6)7)20-14(17)19/h8-10H2,1-7H3
InChIKeyBDOWBPCDLGBOCI-UHFFFAOYSA-N
XLogP3.20
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-butyl-5,6-ditert-butyl-1,3-oxazine-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-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione?
The IUPAC name of 3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione (CID 20872089) is 3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione.
What is the SMILES notation for 3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione?
The canonical SMILES for 3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione is CCCCn1c(=O)oc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione?
The InChIKey is BDOWBPCDLGBOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-8-9-10-17-13(18)11(15(2,3)4)12(16(5,6)7)20-14(17)19/h8-10H2,1-7H3.
What are the key properties of 3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione?
3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5,6-ditert-butyl-1,3-oxazine-2,4-dione is sourced from PubChem (CID 20872089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).