2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate

C16H19NO6 — CID 666664

IUPAC2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate
SMILESCOCCOC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12
InChIInChI=1S/C16H19NO6/c1-10-14(15(18)21-8-7-20-4)12-9-11(5-6-13(12)22-10)23-16(19)17(2)3/h5-6,9H,7-8H2,1-4H3
InChIKeyOUDGGVPSPDDAIX-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.60
Rot. Bonds5

About 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate

2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 666664) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate
PubChem CID666664
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate
SMILESCOCCOC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12
InChIInChI=1S/C16H19NO6/c1-10-14(15(18)21-8-7-20-4)12-9-11(5-6-13(12)22-10)23-16(19)17(2)3/h5-6,9H,7-8H2,1-4H3
InChIKeyOUDGGVPSPDDAIX-UHFFFAOYSA-N
XLogP2.60
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate (CID 666664) is 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate is COCCOC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12.
What is the InChIKey of 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is OUDGGVPSPDDAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6/c1-10-14(15(18)21-8-7-20-4)12-9-11(5-6-13(12)22-10)23-16(19)17(2)3/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate?
2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-(dimethylcarbamoyloxy)-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 666664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).