4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C14H22N4O4 — CID 22101600

About 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 22101600) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
• PubChem CID: 22101600
• Molecular Formula: C14H22N4O4
• Molecular Weight: 310.35 g/mol
• Exact Mass: 310.16
• IUPAC Name: 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
• SMILES: CC1CCOC(C(=O)NCCNC(=O)C2=NC(C)CCO2)=N1
• InChI: InChI=1S/C14H22N4O4/c1-9-3-7-21-13(17-9)11(19)15-5-6-16-12(20)14-18-10(2)4-8-22-14/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,20)
• InChIKey: OCXCKXVROYSZBP-UHFFFAOYSA-N
• XLogP: -0.37
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.35
LogP ≤ 5	-0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?

The IUPAC name of 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 22101600) is 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

What is the SMILES notation for 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?

The canonical SMILES for 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is CC1CCOC(C(=O)NCCNC(=O)C2=NC(C)CCO2)=N1.

What is the InChIKey of 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?

The InChIKey is OCXCKXVROYSZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-9-3-7-21-13(17-9)11(19)15-5-6-16-12(20)14-18-10(2)4-8-22-14/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,20).

What are the key properties of 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?

4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[(4-methyl-5,6-dihydro-4H-1,3-oxazine-2-carbonyl)amino]ethyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 22101600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).