2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide

C18H19N3O — CID 10732494

IUPAC2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide
SMILESCc1c(CC(N)=O)c2cc(N)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-12-15(10-18(20)22)16-9-14(19)7-8-17(16)21(12)11-13-5-3-2-4-6-13/h2-9H,10-11,19H2,1H3,(H2,20,22)
InChIKeyJTOLACJSFZBEHG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.61
Rot. Bonds4

About 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide

2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide (PubChem CID 10732494) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide
PubChem CID10732494
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide
SMILESCc1c(CC(N)=O)c2cc(N)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-12-15(10-18(20)22)16-9-14(19)7-8-17(16)21(12)11-13-5-3-2-4-6-13/h2-9H,10-11,19H2,1H3,(H2,20,22)
InChIKeyJTOLACJSFZBEHG-UHFFFAOYSA-N
XLogP2.61
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide?
The IUPAC name of 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide (CID 10732494) is 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide.
What is the SMILES notation for 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide?
The canonical SMILES for 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide is Cc1c(CC(N)=O)c2cc(N)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide?
The InChIKey is JTOLACJSFZBEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-15(10-18(20)22)16-9-14(19)7-8-17(16)21(12)11-13-5-3-2-4-6-13/h2-9H,10-11,19H2,1H3,(H2,20,22).
What are the key properties of 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide?
2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide is sourced from PubChem (CID 10732494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).