methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane

C20H40N2O6 — CID 143460413

IUPACmethoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane
SMILESCC(C)C.CCC(NC(=O)CNC(=O)C(C)COC)C(=O)C1(C)CO1.COC
InChIInChI=1S/C14H24N2O5.C4H10.C2H6O/c1-5-10(12(18)14(3)8-21-14)16-11(17)6-15-13(19)9(2)7-20-4;1-4(2)3;1-3-2/h9-10H,5-8H2,1-4H3,(H,15,19)(H,16,17);4H,1-3H3;1-2H3
InChIKeyWAUPDVQMOCJNON-UHFFFAOYSA-N
MW404.55 g/mol
LogP1.56
Rot. Bonds9

About methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane

methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane (PubChem CID 143460413) has the molecular formula C20H40N2O6 and a molecular weight of 404.55 g/mol. Its IUPAC name is methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane.

Molecular Properties

Compound Namemethoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane
PubChem CID143460413
Molecular FormulaC20H40N2O6
Molecular Weight404.55 g/mol
Exact Mass404.29
IUPAC Namemethoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane
SMILESCC(C)C.CCC(NC(=O)CNC(=O)C(C)COC)C(=O)C1(C)CO1.COC
InChIInChI=1S/C14H24N2O5.C4H10.C2H6O/c1-5-10(12(18)14(3)8-21-14)16-11(17)6-15-13(19)9(2)7-20-4;1-4(2)3;1-3-2/h9-10H,5-8H2,1-4H3,(H,15,19)(H,16,17);4H,1-3H3;1-2H3
InChIKeyWAUPDVQMOCJNON-UHFFFAOYSA-N
XLogP1.56
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane?
The IUPAC name of methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane (CID 143460413) is methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane.
What is the SMILES notation for methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane?
The canonical SMILES for methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane is CC(C)C.CCC(NC(=O)CNC(=O)C(C)COC)C(=O)C1(C)CO1.COC.
What is the InChIKey of methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane?
The InChIKey is WAUPDVQMOCJNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5.C4H10.C2H6O/c1-5-10(12(18)14(3)8-21-14)16-11(17)6-15-13(19)9(2)7-20-4;1-4(2)3;1-3-2/h9-10H,5-8H2,1-4H3,(H,15,19)(H,16,17);4H,1-3H3;1-2H3.
What are the key properties of methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane?
methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane has a molecular weight of 404.55 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;3-methoxy-2-methyl-N-[2-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-2-oxoethyl]propanamide;2-methylpropane is sourced from PubChem (CID 143460413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).