2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

C22H37N3O4 — CID 161043561

About 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 161043561) has the molecular formula C22H37N3O4 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

• Compound Name: 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
• PubChem CID: 161043561
• Molecular Formula: C22H37N3O4
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.28
• IUPAC Name: 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
• SMILES: CC.CC(C)(C)C.CC(C)c1ccnc2c1COC(=O)N2.O=C1CCCC(=O)N1
• InChI: InChI=1S/C10H12N2O2.C5H7NO2.C5H12.C2H6/c1-6(2)7-3-4-11-9-8(7)5-14-10(13)12-9;7-4-2-1-3-5(8)6-4;1-5(2,3)4;1-2/h3-4,6H,5H2,1-2H3,(H,11,12,13);1-3H2,(H,6,7,8);1-4H3;1-2H3
• InChIKey: UBEVLZDWUXPXSB-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?

The IUPAC name of 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (CID 161043561) is 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.

What is the SMILES notation for 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?

The canonical SMILES for 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is CC.CC(C)(C)C.CC(C)c1ccnc2c1COC(=O)N2.O=C1CCCC(=O)N1.

What is the InChIKey of 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?

The InChIKey is UBEVLZDWUXPXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C5H7NO2.C5H12.C2H6/c1-6(2)7-3-4-11-9-8(7)5-14-10(13)12-9;7-4-2-1-3-5(8)6-4;1-5(2,3)4;1-2/h3-4,6H,5H2,1-2H3,(H,11,12,13);1-3H2,(H,6,7,8);1-4H3;1-2H3.

What are the key properties of 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?

2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 407.56 g/mol, XLogP of 5.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 161043561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).