1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone

C20H22N2O2 — CID 18136181

IUPAC1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone
SMILESCc1cccc(OCCN(C)CC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H22N2O2/c1-15-6-5-7-16(12-15)24-11-10-22(2)14-20(23)18-13-21-19-9-4-3-8-17(18)19/h3-9,12-13,21H,10-11,14H2,1-2H3
InChIKeyHORRKMQQIPZESV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.67
Rot. Bonds7

About 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone

1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone (PubChem CID 18136181) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone
PubChem CID18136181
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone
SMILESCc1cccc(OCCN(C)CC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H22N2O2/c1-15-6-5-7-16(12-15)24-11-10-22(2)14-20(23)18-13-21-19-9-4-3-8-17(18)19/h3-9,12-13,21H,10-11,14H2,1-2H3
InChIKeyHORRKMQQIPZESV-UHFFFAOYSA-N
XLogP3.67
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone with MolForge

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Related Compounds

1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
N-[(4-methoxyphenyl)methyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 32614696
N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 9221714
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-(2-ethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 27121748
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650536
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-(3-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431953

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone (CID 18136181) is 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone is Cc1cccc(OCCN(C)CC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone?
The InChIKey is HORRKMQQIPZESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-6-5-7-16(12-15)24-11-10-22(2)14-20(23)18-13-21-19-9-4-3-8-17(18)19/h3-9,12-13,21H,10-11,14H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone?
1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone has a molecular weight of 322.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethanone is sourced from PubChem (CID 18136181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).