5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid

C16H23NO5 — CID 120822323

IUPAC5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCCOC2CCCC2)cc1C(=O)O
InChIInChI=1S/C16H23NO5/c1-2-13-12(16(19)20)10-14(22-13)15(18)17-8-5-9-21-11-6-3-4-7-11/h10-11H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyTWMFYAAPOARGLG-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.62
Rot. Bonds8

About 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid

5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid (PubChem CID 120822323) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid
PubChem CID120822323
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCCOC2CCCC2)cc1C(=O)O
InChIInChI=1S/C16H23NO5/c1-2-13-12(16(19)20)10-14(22-13)15(18)17-8-5-9-21-11-6-3-4-7-11/h10-11H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyTWMFYAAPOARGLG-UHFFFAOYSA-N
XLogP2.62
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-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
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822564
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822444
5-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821087
5-[3-(4-bromo-2-fluorophenyl)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821911
5-[[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821821
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 49002161
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 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid (CID 120822323) is 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)NCCCOC2CCCC2)cc1C(=O)O.
What is the InChIKey of 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid?
The InChIKey is TWMFYAAPOARGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-2-13-12(16(19)20)10-14(22-13)15(18)17-8-5-9-21-11-6-3-4-7-11/h10-11H,2-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid?
5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid has a molecular weight of 309.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).