methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate

C21H34N2O4 — CID 91214808

IUPACmethoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate
SMILESCNC1(c2ccccc2)CCN(C(C)(C)C(C)(C)C(=O)OC)C1=O.COC
InChIInChI=1S/C19H28N2O3.C2H6O/c1-17(2,16(23)24-6)18(3,4)21-13-12-19(20-5,15(21)22)14-10-8-7-9-11-14;1-3-2/h7-11,20H,12-13H2,1-6H3;1-2H3
InChIKeyXHTQHSYDPVGCRZ-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.57
Rot. Bonds5

About methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate

methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate (PubChem CID 91214808) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Namemethoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate
PubChem CID91214808
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Namemethoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate
SMILESCNC1(c2ccccc2)CCN(C(C)(C)C(C)(C)C(=O)OC)C1=O.COC
InChIInChI=1S/C19H28N2O3.C2H6O/c1-17(2,16(23)24-6)18(3,4)21-13-12-19(20-5,15(21)22)14-10-8-7-9-11-14;1-3-2/h7-11,20H,12-13H2,1-6H3;1-2H3
InChIKeyXHTQHSYDPVGCRZ-UHFFFAOYSA-N
XLogP2.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate?
The IUPAC name of methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate (CID 91214808) is methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate.
What is the SMILES notation for methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate?
The canonical SMILES for methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate is CNC1(c2ccccc2)CCN(C(C)(C)C(C)(C)C(=O)OC)C1=O.COC.
What is the InChIKey of methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate?
The InChIKey is XHTQHSYDPVGCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.C2H6O/c1-17(2,16(23)24-6)18(3,4)21-13-12-19(20-5,15(21)22)14-10-8-7-9-11-14;1-3-2/h7-11,20H,12-13H2,1-6H3;1-2H3.
What are the key properties of methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate?
methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate has a molecular weight of 378.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate is sourced from PubChem (CID 91214808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).