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

C20H22N4O2 — CID 109002483

IUPAC2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N4O2/c1-14(25)24-17-8-6-16(7-9-17)22-13-20(26)21-11-10-15-12-23-19-5-3-2-4-18(15)19/h2-9,12,22-23H,10-11,13H2,1H3,(H,21,26)(H,24,25)
InChIKeyUIOCSYOQLNRTOG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.90
Rot. Bonds7

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

2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 109002483) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID109002483
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N4O2/c1-14(25)24-17-8-6-16(7-9-17)22-13-20(26)21-11-10-15-12-23-19-5-3-2-4-18(15)19/h2-9,12,22-23H,10-11,13H2,1H3,(H,21,26)(H,24,25)
InChIKeyUIOCSYOQLNRTOG-UHFFFAOYSA-N
XLogP2.90
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002455
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 108964965
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 109002483) is 2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)Nc1ccc(NCC(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is UIOCSYOQLNRTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(25)24-17-8-6-16(7-9-17)22-13-20(26)21-11-10-15-12-23-19-5-3-2-4-18(15)19/h2-9,12,22-23H,10-11,13H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 109002483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).