ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate

C14H17NO3 — CID 22132949

IUPACethyl N-(2-propyl-1-benzofuran-5-yl)carbamate
SMILESCCCc1cc2cc(NC(=O)OCC)ccc2o1
InChIInChI=1S/C14H17NO3/c1-3-5-12-9-10-8-11(6-7-13(10)18-12)15-14(16)17-4-2/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyMTXRXOZLYBIVFF-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.95
Rot. Bonds4

About ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate

ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate (PubChem CID 22132949) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-propyl-1-benzofuran-5-yl)carbamate
PubChem CID22132949
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl N-(2-propyl-1-benzofuran-5-yl)carbamate
SMILESCCCc1cc2cc(NC(=O)OCC)ccc2o1
InChIInChI=1S/C14H17NO3/c1-3-5-12-9-10-8-11(6-7-13(10)18-12)15-14(16)17-4-2/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyMTXRXOZLYBIVFF-UHFFFAOYSA-N
XLogP3.95
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate?
The IUPAC name of ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate (CID 22132949) is ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate.
What is the SMILES notation for ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate?
The canonical SMILES for ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate is CCCc1cc2cc(NC(=O)OCC)ccc2o1.
What is the InChIKey of ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate?
The InChIKey is MTXRXOZLYBIVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-5-12-9-10-8-11(6-7-13(10)18-12)15-14(16)17-4-2/h6-9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate?
ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate has a molecular weight of 247.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-propyl-1-benzofuran-5-yl)carbamate is sourced from PubChem (CID 22132949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).