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

C18H18N2O2 — CID 10732550

IUPAC2-(1-benzyl-5-methoxyindol-3-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(N)=O)cn2Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-22-15-7-8-17-16(10-15)14(9-18(19)21)12-20(17)11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H2,19,21)
InChIKeyYFIDROVIWDFKFW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.73
Rot. Bonds5

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

2-(1-benzyl-5-methoxyindol-3-yl)acetamide (PubChem CID 10732550) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(1-benzyl-5-methoxyindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-methoxyindol-3-yl)acetamide
PubChem CID10732550
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(1-benzyl-5-methoxyindol-3-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(N)=O)cn2Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-22-15-7-8-17-16(10-15)14(9-18(19)21)12-20(17)11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H2,19,21)
InChIKeyYFIDROVIWDFKFW-UHFFFAOYSA-N
XLogP2.73
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methoxyindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-5-methoxyindol-3-yl)acetamide (CID 10732550) is 2-(1-benzyl-5-methoxyindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-5-methoxyindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-5-methoxyindol-3-yl)acetamide is COc1ccc2c(c1)c(CC(N)=O)cn2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-methoxyindol-3-yl)acetamide?
The InChIKey is YFIDROVIWDFKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-15-7-8-17-16(10-15)14(9-18(19)21)12-20(17)11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H2,19,21).
What are the key properties of 2-(1-benzyl-5-methoxyindol-3-yl)acetamide?
2-(1-benzyl-5-methoxyindol-3-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methoxyindol-3-yl)acetamide is sourced from PubChem (CID 10732550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).