[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium

C23H29N4O4+ — CID 8780108

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H28N4O4/c1-5-27(14-22(30)25-20-12-10-19(11-13-20)24-17(4)29)15(2)23(31)26-21-8-6-18(7-9-21)16(3)28/h6-13,15H,5,14H2,1-4H3,(H,24,29)(H,25,30)(H,26,31)/p+1/t15-/m0/s1
InChIKeyBSRRFLVLUIBGTQ-HNNXBMFYSA-O
MW425.51 g/mol
LogP1.72
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium

[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium (PubChem CID 8780108) has the molecular formula C23H29N4O4+ and a molecular weight of 425.51 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
PubChem CID8780108
Molecular FormulaC23H29N4O4+
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H28N4O4/c1-5-27(14-22(30)25-20-12-10-19(11-13-20)24-17(4)29)15(2)23(31)26-21-8-6-18(7-9-21)16(3)28/h6-13,15H,5,14H2,1-4H3,(H,24,29)(H,25,30)(H,26,31)/p+1/t15-/m0/s1
InChIKeyBSRRFLVLUIBGTQ-HNNXBMFYSA-O
XLogP1.72
TPSA108.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium 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-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8791503
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8779651
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 9026866
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium
CID 8791369
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 9433290
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylazanium
CID 11933173
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779685
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779683
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9027123
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
CID 9254626

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium (CID 8780108) is [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium is CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium?
The InChIKey is BSRRFLVLUIBGTQ-HNNXBMFYSA-O. The full InChI is InChI=1S/C23H28N4O4/c1-5-27(14-22(30)25-20-12-10-19(11-13-20)24-17(4)29)15(2)23(31)26-21-8-6-18(7-9-21)16(3)28/h6-13,15H,5,14H2,1-4H3,(H,24,29)(H,25,30)(H,26,31)/p+1/t15-/m0/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium has a molecular weight of 425.51 g/mol, XLogP of 1.72, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium is sourced from PubChem (CID 8780108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).