2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid

C19H20N2O4 — CID 120820708

IUPAC2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCCn2ccc3ccccc32)cc1C(=O)O
InChIInChI=1S/C19H20N2O4/c1-2-16-14(19(23)24)12-17(25-16)18(22)20-9-5-10-21-11-8-13-6-3-4-7-15(13)21/h3-4,6-8,11-12H,2,5,9-10H2,1H3,(H,20,22)(H,23,24)
InChIKeyXUXVSFVNCXBAFR-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.32
Rot. Bonds7

About 2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid

2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid (PubChem CID 120820708) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid
PubChem CID120820708
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCCn2ccc3ccccc32)cc1C(=O)O
InChIInChI=1S/C19H20N2O4/c1-2-16-14(19(23)24)12-17(25-16)18(22)20-9-5-10-21-11-8-13-6-3-4-7-15(13)21/h3-4,6-8,11-12H,2,5,9-10H2,1H3,(H,20,22)(H,23,24)
InChIKeyXUXVSFVNCXBAFR-UHFFFAOYSA-N
XLogP3.32
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid (CID 120820708) is 2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid is CCc1oc(C(=O)NCCCn2ccc3ccccc32)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is XUXVSFVNCXBAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-16-14(19(23)24)12-17(25-16)18(22)20-9-5-10-21-11-8-13-6-3-4-7-15(13)21/h3-4,6-8,11-12H,2,5,9-10H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid?
2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 120820708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).