2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide

C16H22N2O2 — CID 83174508

IUPAC2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
SMILESCCOc1cccc2c1ccn2CC(=O)N(CC)CC
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(19)12-18-11-10-13-14(18)8-7-9-15(13)20-6-3/h7-11H,4-6,12H2,1-3H3
InChIKeyITYIBQJOXBJPSL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.91
Rot. Bonds6

About 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide

2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide (PubChem CID 83174508) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
PubChem CID83174508
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
SMILESCCOc1cccc2c1ccn2CC(=O)N(CC)CC
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(19)12-18-11-10-13-14(18)8-7-9-15(13)20-6-3/h7-11H,4-6,12H2,1-3H3
InChIKeyITYIBQJOXBJPSL-UHFFFAOYSA-N
XLogP2.91
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide
CID 82794493
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509
4-(4-ethoxyindol-1-yl)-2,2-dimethylbutanoic acid
CID 83162756
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide
CID 7162284
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide (CID 83174508) is 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide is CCOc1cccc2c1ccn2CC(=O)N(CC)CC.
What is the InChIKey of 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide?
The InChIKey is ITYIBQJOXBJPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-17(5-2)16(19)12-18-11-10-13-14(18)8-7-9-15(13)20-6-3/h7-11H,4-6,12H2,1-3H3.
What are the key properties of 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide?
2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 83174508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).