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

C19H17N3O2 — CID 46858731

IUPAC2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C19H17N3O2/c1-2-24-18-10-6-4-8-16(18)21-19(23)13-22-12-14(11-20)15-7-3-5-9-17(15)22/h3-10,12H,2,13H2,1H3,(H,21,23)
InChIKeyXNLABOCOLCWWSY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.55
Rot. Bonds5

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

2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 46858731) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID46858731
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C19H17N3O2/c1-2-24-18-10-6-4-8-16(18)21-19(23)13-22-12-14(11-20)15-7-3-5-9-17(15)22/h3-10,12H,2,13H2,1H3,(H,21,23)
InChIKeyXNLABOCOLCWWSY-UHFFFAOYSA-N
XLogP3.55
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(3-cyanoindol-1-yl)acetyl]amino]benzoate
CID 46858720
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 951761
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide
CID 7162284
2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
CID 46858702
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40662535
2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide
CID 1412164
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide (CID 46858731) is 2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1cc(C#N)c2ccccc21.
What is the InChIKey of 2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is XNLABOCOLCWWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-24-18-10-6-4-8-16(18)21-19(23)13-22-12-14(11-20)15-7-3-5-9-17(15)22/h3-10,12H,2,13H2,1H3,(H,21,23).
What are the key properties of 2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide?
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 46858731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).