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

C19H17N3O — CID 46858702

IUPAC2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
SMILESN#Cc1cn(CC(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H17N3O/c20-12-16-13-22(18-9-5-4-8-17(16)18)14-19(23)21-11-10-15-6-2-1-3-7-15/h1-9,13H,10-11,14H2,(H,21,23)
InChIKeyXDWBTFPQDJEQQS-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.87
Rot. Bonds5

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

2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 46858702) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID46858702
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
SMILESN#Cc1cn(CC(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H17N3O/c20-12-16-13-22(18-9-5-4-8-17(16)18)14-19(23)21-11-10-15-6-2-1-3-7-15/h1-9,13H,10-11,14H2,(H,21,23)
InChIKeyXDWBTFPQDJEQQS-UHFFFAOYSA-N
XLogP2.87
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778
2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
CID 46858714
2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
CID 4655442
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 951761
N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
CID 5298767
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 1298670
methyl 2-[[2-(3-cyanoindol-1-yl)acetyl]amino]benzoate
CID 46858720
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 46858731
6-(3-cyanoindol-1-yl)hexanoic acid
CID 71567711
3-chloro-4-hydroxy-N-[[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]methylideneamino]benzamide
CID 72513951

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide (CID 46858702) is 2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide is N#Cc1cn(CC(=O)NCCc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is XDWBTFPQDJEQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c20-12-16-13-22(18-9-5-4-8-17(16)18)14-19(23)21-11-10-15-6-2-1-3-7-15/h1-9,13H,10-11,14H2,(H,21,23).
What are the key properties of 2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide?
2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 2.87, 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 46858702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).