N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide

C17H21N3O — CID 46858716

IUPACN-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C17H21N3O/c1-3-5-10-19(4-2)17(21)13-20-12-14(11-18)15-8-6-7-9-16(15)20/h6-9,12H,3-5,10,13H2,1-2H3
InChIKeyFHBQTUMQESEOFG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.16
Rot. Bonds6

About N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide

N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide (PubChem CID 46858716) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide
PubChem CID46858716
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C17H21N3O/c1-3-5-10-19(4-2)17(21)13-20-12-14(11-18)15-8-6-7-9-16(15)20/h6-9,12H,3-5,10,13H2,1-2H3
InChIKeyFHBQTUMQESEOFG-UHFFFAOYSA-N
XLogP3.16
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551
2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778
N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 134031593
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
6-(3-cyanoindol-1-yl)hexanoic acid
CID 71567711
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
1-(4-chlorobutyl)indole-3-carbonitrile
CID 10331529
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 46858731
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
CID 46858714

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide?
The IUPAC name of N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide (CID 46858716) is N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide?
The canonical SMILES for N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide is CCCCN(CC)C(=O)Cn1cc(C#N)c2ccccc21.
What is the InChIKey of N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide?
The InChIKey is FHBQTUMQESEOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-5-10-19(4-2)17(21)13-20-12-14(11-18)15-8-6-7-9-16(15)20/h6-9,12H,3-5,10,13H2,1-2H3.
What are the key properties of N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide?
N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide has a molecular weight of 283.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide is sourced from PubChem (CID 46858716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).