2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide

C18H18N2O4 — CID 3157244

IUPAC2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C18H18N2O4/c1-23-10-8-19-17(21)12-20-11-14(13-5-2-3-6-15(13)20)18(22)16-7-4-9-24-16/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)
InChIKeyFWCKJLXFEXPEJR-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.23
Rot. Bonds7

About 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide

2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 3157244) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID3157244
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C18H18N2O4/c1-23-10-8-19-17(21)12-20-11-14(13-5-2-3-6-15(13)20)18(22)16-7-4-9-24-16/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)
InChIKeyFWCKJLXFEXPEJR-UHFFFAOYSA-N
XLogP2.23
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid
CID 449500
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
furan-2-yl(1H-indol-3-yl)methanone
CID 958611
1-(4-benzoylpiperazin-1-yl)-2-[7-(3-furyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280191
5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxylic acid amide
CID 11316467
3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1932249
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
Proximicin C
CID 24829332
Nmdpef
CID 46861897
N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
CID 1489193

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide (CID 3157244) is 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is FWCKJLXFEXPEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-10-8-19-17(21)12-20-11-14(13-5-2-3-6-15(13)20)18(22)16-7-4-9-24-16/h2-7,9,11H,8,10,12H2,1H3,(H,19,21).
What are the key properties of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3157244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).