methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate

C19H28N2O6 — CID 13325509

IUPACmethyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate
SMILESCCNC(=O)OCCC(C(=O)OC)N(C(=O)COC)c1c(C)cccc1C
InChIInChI=1S/C19H28N2O6/c1-6-20-19(24)27-11-10-15(18(23)26-5)21(16(22)12-25-4)17-13(2)8-7-9-14(17)3/h7-9,15H,6,10-12H2,1-5H3,(H,20,24)
InChIKeySOHIMFXLIUHTCB-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.96
Rot. Bonds9

About methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate

methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate (PubChem CID 13325509) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate.

Molecular Properties

Compound Namemethyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate
PubChem CID13325509
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Namemethyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate
SMILESCCNC(=O)OCCC(C(=O)OC)N(C(=O)COC)c1c(C)cccc1C
InChIInChI=1S/C19H28N2O6/c1-6-20-19(24)27-11-10-15(18(23)26-5)21(16(22)12-25-4)17-13(2)8-7-9-14(17)3/h7-9,15H,6,10-12H2,1-5H3,(H,20,24)
InChIKeySOHIMFXLIUHTCB-UHFFFAOYSA-N
XLogP1.96
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate?
The IUPAC name of methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate (CID 13325509) is methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate.
What is the SMILES notation for methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate?
The canonical SMILES for methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate is CCNC(=O)OCCC(C(=O)OC)N(C(=O)COC)c1c(C)cccc1C.
What is the InChIKey of methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate?
The InChIKey is SOHIMFXLIUHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-6-20-19(24)27-11-10-15(18(23)26-5)21(16(22)12-25-4)17-13(2)8-7-9-14(17)3/h7-9,15H,6,10-12H2,1-5H3,(H,20,24).
What are the key properties of methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate?
methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate has a molecular weight of 380.44 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylcarbamoyloxy)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)butanoate is sourced from PubChem (CID 13325509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).