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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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).