methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate

C13H24N2O3 — CID 134899515

IUPACmethyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(C)C)C(=O)N1C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)14-7-6-11(8-12(16)18-5)15(10(3)4)13(14)17/h9-11H,6-8H2,1-5H3
InChIKeyNPEVKHPHZPBEHW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.86
Rot. Bonds4

About methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate

methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate (PubChem CID 134899515) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate
PubChem CID134899515
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(C)C)C(=O)N1C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)14-7-6-11(8-12(16)18-5)15(10(3)4)13(14)17/h9-11H,6-8H2,1-5H3
InChIKeyNPEVKHPHZPBEHW-UHFFFAOYSA-N
XLogP1.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate?
The IUPAC name of methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate (CID 134899515) is methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate is COC(=O)CC1CCN(C(C)C)C(=O)N1C(C)C.
What is the InChIKey of methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate?
The InChIKey is NPEVKHPHZPBEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)14-7-6-11(8-12(16)18-5)15(10(3)4)13(14)17/h9-11H,6-8H2,1-5H3.
What are the key properties of methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate?
methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate has a molecular weight of 256.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-1,3-di(propan-2-yl)-1,3-diazinan-4-yl]acetate is sourced from PubChem (CID 134899515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).