[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium

C23H27N4O3+ — CID 8791398

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H26N4O3/c1-4-27(14-22(29)26-18-11-9-17(10-12-18)25-16(3)28)15(2)23(30)20-13-24-21-8-6-5-7-19(20)21/h5-13,15,24H,4,14H2,1-3H3,(H,25,28)(H,26,29)/p+1/t15-/m0/s1
InChIKeyFUFXLHYSUXYQSG-HNNXBMFYSA-O
MW407.49 g/mol
LogP2.24
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium (PubChem CID 8791398) has the molecular formula C23H27N4O3+ and a molecular weight of 407.49 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
PubChem CID8791398
Molecular FormulaC23H27N4O3+
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H26N4O3/c1-4-27(14-22(29)26-18-11-9-17(10-12-18)25-16(3)28)15(2)23(30)20-13-24-21-8-6-5-7-19(20)21/h5-13,15,24H,4,14H2,1-3H3,(H,25,28)(H,26,29)/p+1/t15-/m0/s1
InChIKeyFUFXLHYSUXYQSG-HNNXBMFYSA-O
XLogP2.24
TPSA95.50 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium 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

N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide
CID 24506580
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913527
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8843041
N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
N-(4-fluorophenyl)-2-[4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-1,4-diium-1-yl]acetamide
CID 8804828
(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8540485
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411340
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium (CID 8791398) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium is CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium?
The InChIKey is FUFXLHYSUXYQSG-HNNXBMFYSA-O. The full InChI is InChI=1S/C23H26N4O3/c1-4-27(14-22(29)26-18-11-9-17(10-12-18)25-16(3)28)15(2)23(30)20-13-24-21-8-6-5-7-19(20)21/h5-13,15,24H,4,14H2,1-3H3,(H,25,28)(H,26,29)/p+1/t15-/m0/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium has a molecular weight of 407.49 g/mol, XLogP of 2.24, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8791398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).