2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid

C11H15NO5 — CID 120820543

IUPAC2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCOC)cc1C(=O)O
InChIInChI=1S/C11H15NO5/c1-3-8-7(11(14)15)6-9(17-8)10(13)12-4-5-16-2/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPFZCVIJBUVTRKY-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.92
Rot. Bonds6

About 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid

2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid (PubChem CID 120820543) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
PubChem CID120820543
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCOC)cc1C(=O)O
InChIInChI=1S/C11H15NO5/c1-3-8-7(11(14)15)6-9(17-8)10(13)12-4-5-16-2/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPFZCVIJBUVTRKY-UHFFFAOYSA-N
XLogP0.92
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-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

Related Compounds

2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 120820781
2-ethyl-5-[2-[4-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821253
5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822323
2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821740
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
2-ethyl-5-[3-(2-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821672
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821645
2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753
2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821415
5-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821434
2-ethyl-5-(2-methylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822640

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid (CID 120820543) is 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid is CCc1oc(C(=O)NCCOC)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is PFZCVIJBUVTRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-8-7(11(14)15)6-9(17-8)10(13)12-4-5-16-2/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid?
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 120820543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).