2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide

C18H18N2O3 — CID 2227057

IUPAC2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1c(C)n(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C18H18N2O3/c1-12-18(13(2)21)15-7-3-4-8-16(15)20(12)11-17(22)19-10-14-6-5-9-23-14/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyLSGIVOIKWXTIJZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 2227057) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID2227057
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1c(C)n(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C18H18N2O3/c1-12-18(13(2)21)15-7-3-4-8-16(15)20(12)11-17(22)19-10-14-6-5-9-23-14/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyLSGIVOIKWXTIJZ-UHFFFAOYSA-N
XLogP3.06
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-(9H-carbazol-9-yl)-3-(((furan-2-yl)methyl)amino)propan-2-ol
CID 652652
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
Proximicin C
CID 24829332
N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
CID 1489193
N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 25459838
[4-(3-Carbazol-9-yl-2-hydroxy-propyl)-piperazin-1-yl]-furan-2-yl-methanone
CID 655901
(2R)-N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10671411
N-(1-adamantyl)-2-[5-(furan-2-yl)-1-pentylindol-3-yl]-2-oxoacetamide
CID 60155101
N-[2-(5-methoxy-2-phenylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042142

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 2227057) is 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide is CC(=O)c1c(C)n(CC(=O)NCc2ccco2)c2ccccc12.
What is the InChIKey of 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LSGIVOIKWXTIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-18(13(2)21)15-7-3-4-8-16(15)20(12)11-17(22)19-10-14-6-5-9-23-14/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methylindol-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2227057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).