2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide

C20H22N2O2 — CID 10615829

IUPAC2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide
SMILESCCc1c(CC(N)=O)c2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-18-17(12-20(21)23)16-11-15(24-2)9-10-19(16)22(18)13-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3,(H2,21,23)
InChIKeyAYTGRJDCUGRVSB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.29
Rot. Bonds6

About 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide

2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide (PubChem CID 10615829) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide
PubChem CID10615829
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide
SMILESCCc1c(CC(N)=O)c2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-18-17(12-20(21)23)16-11-15(24-2)9-10-19(16)22(18)13-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3,(H2,21,23)
InChIKeyAYTGRJDCUGRVSB-UHFFFAOYSA-N
XLogP3.29
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide (CID 10615829) is 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide is CCc1c(CC(N)=O)c2cc(OC)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide?
The InChIKey is AYTGRJDCUGRVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-18-17(12-20(21)23)16-11-15(24-2)9-10-19(16)22(18)13-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3,(H2,21,23).
What are the key properties of 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide?
2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetamide is sourced from PubChem (CID 10615829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).