2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C19H20N2O2 — CID 4781414

IUPAC2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N2O2/c1-21(13-14-7-9-16(23-2)10-8-14)19(22)11-15-12-20-18-6-4-3-5-17(15)18/h3-10,12,20H,11,13H2,1-2H3
InChIKeyQTZGBLXUXITGIO-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.38
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 4781414) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID4781414
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H20N2O2/c1-21(13-14-7-9-16(23-2)10-8-14)19(22)11-15-12-20-18-6-4-3-5-17(15)18/h3-10,12,20H,11,13H2,1-2H3
InChIKeyQTZGBLXUXITGIO-UHFFFAOYSA-N
XLogP3.38
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 4781414) is 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is QTZGBLXUXITGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-21(13-14-7-9-16(23-2)10-8-14)19(22)11-15-12-20-18-6-4-3-5-17(15)18/h3-10,12,20H,11,13H2,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 308.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 4781414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).