ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate

C20H19NO5 — CID 667239

IUPACethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)N(C)C)cc12
InChIInChI=1S/C20H19NO5/c1-4-24-19(22)17-15-12-14(25-20(23)21(2)3)10-11-16(15)26-18(17)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyNZOXLEWKTNCDIW-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.34
Rot. Bonds4

About ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate

ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate (PubChem CID 667239) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate
PubChem CID667239
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)N(C)C)cc12
InChIInChI=1S/C20H19NO5/c1-4-24-19(22)17-15-12-14(25-20(23)21(2)3)10-11-16(15)26-18(17)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyNZOXLEWKTNCDIW-UHFFFAOYSA-N
XLogP4.34
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate (CID 667239) is ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)N(C)C)cc12.
What is the InChIKey of ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate?
The InChIKey is NZOXLEWKTNCDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-4-24-19(22)17-15-12-14(25-20(23)21(2)3)10-11-16(15)26-18(17)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate?
ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoyloxy)-2-phenyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 667239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).