2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid

C17H19NO4 — CID 119182373

IUPAC2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)C1CC1C(=O)O)C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H19NO4/c1-3-18(16(19)12-9-13(12)17(20)21)10(2)15-8-11-6-4-5-7-14(11)22-15/h4-8,10,12-13H,3,9H2,1-2H3,(H,20,21)
InChIKeyWVGCDEXHCKSOFQ-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.06
Rot. Bonds5

About 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid

2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119182373) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119182373
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)C1CC1C(=O)O)C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H19NO4/c1-3-18(16(19)12-9-13(12)17(20)21)10(2)15-8-11-6-4-5-7-14(11)22-15/h4-8,10,12-13H,3,9H2,1-2H3,(H,20,21)
InChIKeyWVGCDEXHCKSOFQ-UHFFFAOYSA-N
XLogP3.06
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid 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 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 119182373) is 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid is CCN(C(=O)C1CC1C(=O)O)C(C)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WVGCDEXHCKSOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-18(16(19)12-9-13(12)17(20)21)10(2)15-8-11-6-4-5-7-14(11)22-15/h4-8,10,12-13H,3,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119182373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).