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

C18H18N2O2 — CID 10589888

IUPAC2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide
SMILESCc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-12-15(10-18(19)22)16-9-14(21)7-8-17(16)20(12)11-13-5-3-2-4-6-13/h2-9,21H,10-11H2,1H3,(H2,19,22)
InChIKeyGDDVEHDUMMPABM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.73
Rot. Bonds4

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

2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide (PubChem CID 10589888) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide
PubChem CID10589888
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide
SMILESCc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-12-15(10-18(19)22)16-9-14(21)7-8-17(16)20(12)11-13-5-3-2-4-6-13/h2-9,21H,10-11H2,1H3,(H2,19,22)
InChIKeyGDDVEHDUMMPABM-UHFFFAOYSA-N
XLogP2.73
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.73
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-5-hydroxy-2-methylindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide (CID 10589888) is 2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide is Cc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide?
The InChIKey is GDDVEHDUMMPABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-15(10-18(19)22)16-9-14(21)7-8-17(16)20(12)11-13-5-3-2-4-6-13/h2-9,21H,10-11H2,1H3,(H2,19,22).
What are the key properties of 2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide?
2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-hydroxy-2-methylindol-3-yl)acetamide is sourced from PubChem (CID 10589888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).