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

C19H20N2O2 — CID 10542836

IUPAC2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide
SMILESCCc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-17-16(11-19(20)23)15-10-14(22)8-9-18(15)21(17)12-13-6-4-3-5-7-13/h3-10,22H,2,11-12H2,1H3,(H2,20,23)
InChIKeyAYKGTLHHBLBOPQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.99
Rot. Bonds5

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

2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide (PubChem CID 10542836) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide
PubChem CID10542836
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide
SMILESCCc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-17-16(11-19(20)23)15-10-14(22)8-9-18(15)21(17)12-13-6-4-3-5-7-13/h3-10,22H,2,11-12H2,1H3,(H2,20,23)
InChIKeyAYKGTLHHBLBOPQ-UHFFFAOYSA-N
XLogP2.99
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
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-hydroxyindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide (CID 10542836) is 2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide is CCc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide?
The InChIKey is AYKGTLHHBLBOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-17-16(11-19(20)23)15-10-14(22)8-9-18(15)21(17)12-13-6-4-3-5-7-13/h3-10,22H,2,11-12H2,1H3,(H2,20,23).
What are the key properties of 2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide?
2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-ethyl-5-hydroxyindol-3-yl)acetamide is sourced from PubChem (CID 10542836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).