2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C21H20N4O2 — CID 113181072

IUPAC2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1
InChIInChI=1S/C21H20N4O2/c1-15(26)25(18-8-6-16(12-22)7-9-18)14-21(27)23-11-10-17-13-24-20-5-3-2-4-19(17)20/h2-9,13,24H,10-11,14H2,1H3,(H,23,27)
InChIKeyHDUIWBUVJDGQHS-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.75
Rot. Bonds6

About 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 113181072) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID113181072
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1
InChIInChI=1S/C21H20N4O2/c1-15(26)25(18-8-6-16(12-22)7-9-18)14-21(27)23-11-10-17-13-24-20-5-3-2-4-19(17)20/h2-9,13,24H,10-11,14H2,1H3,(H,23,27)
InChIKeyHDUIWBUVJDGQHS-UHFFFAOYSA-N
XLogP2.75
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173902
2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113181426
2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171880
2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171713
(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27645064
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113128750
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113163074

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 113181072) is 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1.
What is the InChIKey of 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is HDUIWBUVJDGQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15(26)25(18-8-6-16(12-22)7-9-18)14-21(27)23-11-10-17-13-24-20-5-3-2-4-19(17)20/h2-9,13,24H,10-11,14H2,1H3,(H,23,27).
What are the key properties of 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 113181072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).