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

C22H25N3O3 — CID 113173902

IUPAC2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCc2c[nH]c3ccccc23)C(C)=O)cc1
InChIInChI=1S/C22H25N3O3/c1-3-28-19-10-8-18(9-11-19)25(16(2)26)15-22(27)23-13-12-17-14-24-21-7-5-4-6-20(17)21/h4-11,14,24H,3,12-13,15H2,1-2H3,(H,23,27)
InChIKeyRHLGWVMBGQLNON-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.28
Rot. Bonds8

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

2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 113173902) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID113173902
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCc2c[nH]c3ccccc23)C(C)=O)cc1
InChIInChI=1S/C22H25N3O3/c1-3-28-19-10-8-18(9-11-19)25(16(2)26)15-22(27)23-13-12-17-14-24-21-7-5-4-6-20(17)21/h4-11,14,24H,3,12-13,15H2,1-2H3,(H,23,27)
InChIKeyRHLGWVMBGQLNON-UHFFFAOYSA-N
XLogP3.28
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113181072
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113181426
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
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-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113163074
2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171713
tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol
CID 161141076
4-ethoxy-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 35769791

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 113173902) is 2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCOc1ccc(N(CC(=O)NCCc2c[nH]c3ccccc23)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is RHLGWVMBGQLNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-28-19-10-8-18(9-11-19)25(16(2)26)15-22(27)23-13-12-17-14-24-21-7-5-4-6-20(17)21/h4-11,14,24H,3,12-13,15H2,1-2H3,(H,23,27).
What are the key properties of 2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 113173902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).