methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate

C18H27NO5 — CID 13325488

IUPACmethyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate
SMILESCOCCC(C(=O)OC)N(C(=O)COC)c1c(C)ccc(C)c1C
InChIInChI=1S/C18H27NO5/c1-12-7-8-13(2)17(14(12)3)19(16(20)11-23-5)15(9-10-22-4)18(21)24-6/h7-8,15H,9-11H2,1-6H3
InChIKeyRJRUWXXASPCIMU-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.17
Rot. Bonds8

About methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate

methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate (PubChem CID 13325488) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate
PubChem CID13325488
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Namemethyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate
SMILESCOCCC(C(=O)OC)N(C(=O)COC)c1c(C)ccc(C)c1C
InChIInChI=1S/C18H27NO5/c1-12-7-8-13(2)17(14(12)3)19(16(20)11-23-5)15(9-10-22-4)18(21)24-6/h7-8,15H,9-11H2,1-6H3
InChIKeyRJRUWXXASPCIMU-UHFFFAOYSA-N
XLogP2.17
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate?
The IUPAC name of methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate (CID 13325488) is methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate.
What is the SMILES notation for methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate?
The canonical SMILES for methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate is COCCC(C(=O)OC)N(C(=O)COC)c1c(C)ccc(C)c1C.
What is the InChIKey of methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate?
The InChIKey is RJRUWXXASPCIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-12-7-8-13(2)17(14(12)3)19(16(20)11-23-5)15(9-10-22-4)18(21)24-6/h7-8,15H,9-11H2,1-6H3.
What are the key properties of methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate?
methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate has a molecular weight of 337.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-(N-(2-methoxyacetyl)-2,3,6-trimethylanilino)butanoate is sourced from PubChem (CID 13325488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).