N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide

C24H34N4O2+2 — CID 8596337

IUPACN-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)C[NH+]1CC[NH+](Cc2ccccc2C)CC1
InChIInChI=1S/C24H32N4O2/c1-3-20-9-6-7-11-22(20)26-23(29)16-25-24(30)18-28-14-12-27(13-15-28)17-21-10-5-4-8-19(21)2/h4-11H,3,12-18H2,1-2H3,(H,25,30)(H,26,29)/p+2
InChIKeyDRMCNVUTIJXIOZ-UHFFFAOYSA-P
MW410.56 g/mol
LogP-0.40
Rot. Bonds8

About N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide

N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide (PubChem CID 8596337) has the molecular formula C24H34N4O2+2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
PubChem CID8596337
Molecular FormulaC24H34N4O2+2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)C[NH+]1CC[NH+](Cc2ccccc2C)CC1
InChIInChI=1S/C24H32N4O2/c1-3-20-9-6-7-11-22(20)26-23(29)16-25-24(30)18-28-14-12-27(13-15-28)17-21-10-5-4-8-19(21)2/h4-11H,3,12-18H2,1-2H3,(H,25,30)(H,26,29)/p+2
InChIKeyDRMCNVUTIJXIOZ-UHFFFAOYSA-P
XLogP-0.40
TPSA67.08 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]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

N-(2,5-dimethylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9257531
N-(2-ethylphenyl)-2-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]acetamide
CID 8773219
N-(5-chloro-2-fluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9257348
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694727
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8773315
[2-(2-ethylanilino)-2-oxoethyl]-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8789359
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8795376
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9257321
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9257283
N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8623341
N-(2-chlorophenyl)-2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434312
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide (CID 8596337) is N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide is CCc1ccccc1NC(=O)CNC(=O)C[NH+]1CC[NH+](Cc2ccccc2C)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide?
The InChIKey is DRMCNVUTIJXIOZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H32N4O2/c1-3-20-9-6-7-11-22(20)26-23(29)16-25-24(30)18-28-14-12-27(13-15-28)17-21-10-5-4-8-19(21)2/h4-11H,3,12-18H2,1-2H3,(H,25,30)(H,26,29)/p+2.
What are the key properties of N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide?
N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide has a molecular weight of 410.56 g/mol, XLogP of -0.40, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8596337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).