N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide

C20H21N3O2 — CID 110768882

IUPACN-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-13-18(17-6-4-5-7-19(17)23(13)3)12-20(25)22-16-10-8-15(9-11-16)21-14(2)24/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyNLNCTJOKJGEQTA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.63
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide

N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide (PubChem CID 110768882) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
PubChem CID110768882
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-13-18(17-6-4-5-7-19(17)23(13)3)12-20(25)22-16-10-8-15(9-11-16)21-14(2)24/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyNLNCTJOKJGEQTA-UHFFFAOYSA-N
XLogP3.63
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.63
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 N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide (CID 110768882) is N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cc2c(C)n(C)c3ccccc23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
The InChIKey is NLNCTJOKJGEQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-18(17-6-4-5-7-19(17)23(13)3)12-20(25)22-16-10-8-15(9-11-16)21-14(2)24/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide is sourced from PubChem (CID 110768882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).