2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide

C16H19N3O — CID 46858714

IUPAC2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C16H19N3O/c1-12(2)7-8-18-16(20)11-19-10-13(9-17)14-5-3-4-6-15(14)19/h3-6,10,12H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyYVRFGVYSYXHHBR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.68
Rot. Bonds5

About 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide

2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 46858714) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID46858714
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C16H19N3O/c1-12(2)7-8-18-16(20)11-19-10-13(9-17)14-5-3-4-6-15(14)19/h3-6,10,12H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyYVRFGVYSYXHHBR-UHFFFAOYSA-N
XLogP2.68
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778
2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
CID 46858702
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 951761
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
methyl 2-[[2-(3-cyanoindol-1-yl)acetyl]amino]benzoate
CID 46858720
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 46858731
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 1095444
2-(5-bromo-3-cyanoindol-1-yl)-N-(1-phenylethyl)acetamide
CID 2972798
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
CID 3145522

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide (CID 46858714) is 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1cc(C#N)c2ccccc21.
What is the InChIKey of 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is YVRFGVYSYXHHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(2)7-8-18-16(20)11-19-10-13(9-17)14-5-3-4-6-15(14)19/h3-6,10,12H,7-8,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide?
2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 46858714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).