methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate

C18H32N2O7 — CID 59871972

IUPACmethyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate
SMILESCOC(=O)C(OC)N1C(=O)N(C(OC)C(=O)OC)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C18H32N2O7/c1-16(2)17(3,4)19(11(24-7)13(21)26-9)15(23)20(18(16,5)6)12(25-8)14(22)27-10/h11-12H,1-10H3
InChIKeyLQNOLVYRGGISSX-UHFFFAOYSA-N
MW388.46 g/mol
LogP1.60
Rot. Bonds6

About methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate

methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate (PubChem CID 59871972) has the molecular formula C18H32N2O7 and a molecular weight of 388.46 g/mol. Its IUPAC name is methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate
PubChem CID59871972
Molecular FormulaC18H32N2O7
Molecular Weight388.46 g/mol
Exact Mass388.22
IUPAC Namemethyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate
SMILESCOC(=O)C(OC)N1C(=O)N(C(OC)C(=O)OC)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C18H32N2O7/c1-16(2)17(3,4)19(11(24-7)13(21)26-9)15(23)20(18(16,5)6)12(25-8)14(22)27-10/h11-12H,1-10H3
InChIKeyLQNOLVYRGGISSX-UHFFFAOYSA-N
XLogP1.60
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate?
The IUPAC name of methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate (CID 59871972) is methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate.
What is the SMILES notation for methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate?
The canonical SMILES for methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate is COC(=O)C(OC)N1C(=O)N(C(OC)C(=O)OC)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate?
The InChIKey is LQNOLVYRGGISSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O7/c1-16(2)17(3,4)19(11(24-7)13(21)26-9)15(23)20(18(16,5)6)12(25-8)14(22)27-10/h11-12H,1-10H3.
What are the key properties of methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate?
methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate has a molecular weight of 388.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1,2-dimethoxy-2-oxoethyl)-4,4,5,5,6,6-hexamethyl-2-oxo-1,3-diazinan-1-yl]-2-methoxyacetate is sourced from PubChem (CID 59871972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).