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

C20H22N2O2 — CID 46591974

IUPAC2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-14(16-8-5-7-11-19(16)24-3)22(2)20(23)12-15-13-21-18-10-6-4-9-17(15)18/h4-11,13-14,21H,12H2,1-3H3
InChIKeyAODRNAHQMVTTMU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.94
Rot. Bonds5

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

2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 46591974) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID46591974
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-14(16-8-5-7-11-19(16)24-3)22(2)20(23)12-15-13-21-18-10-6-4-9-17(15)18/h4-11,13-14,21H,12H2,1-3H3
InChIKeyAODRNAHQMVTTMU-UHFFFAOYSA-N
XLogP3.94
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054534
2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692080
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960282
2-(1H-indol-3-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 17465883
3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
CID 163055572

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (CID 46591974) is 2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is COc1ccccc1C(C)N(C)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is AODRNAHQMVTTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(16-8-5-7-11-19(16)24-3)22(2)20(23)12-15-13-21-18-10-6-4-9-17(15)18/h4-11,13-14,21H,12H2,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 322.41 g/mol, XLogP of 3.94, 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-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 46591974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).