ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate

C12H13NO3 — CID 20824630

IUPACethyl N-(3-methyl-1-benzofuran-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2occ(C)c2c1
InChIInChI=1S/C12H13NO3/c1-3-15-12(14)13-9-4-5-11-10(6-9)8(2)7-16-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyJIYWHHHBFDMSPY-UHFFFAOYSA-N
MW219.24 g/mol
LogP3.31
Rot. Bonds2

About ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate

ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate (PubChem CID 20824630) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-methyl-1-benzofuran-5-yl)carbamate
PubChem CID20824630
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl N-(3-methyl-1-benzofuran-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2occ(C)c2c1
InChIInChI=1S/C12H13NO3/c1-3-15-12(14)13-9-4-5-11-10(6-9)8(2)7-16-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyJIYWHHHBFDMSPY-UHFFFAOYSA-N
XLogP3.31
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate?
The IUPAC name of ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate (CID 20824630) is ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate.
What is the SMILES notation for ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate?
The canonical SMILES for ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate is CCOC(=O)Nc1ccc2occ(C)c2c1.
What is the InChIKey of ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate?
The InChIKey is JIYWHHHBFDMSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-15-12(14)13-9-4-5-11-10(6-9)8(2)7-16-11/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate?
ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate has a molecular weight of 219.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-methyl-1-benzofuran-5-yl)carbamate is sourced from PubChem (CID 20824630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).