N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide

C22H32N5O4+ — CID 9370252

IUPACN-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)CCCN2C(=O)CN(C)C2=O)CC1
InChIInChI=1S/C22H31N5O4/c1-3-17-7-4-5-8-18(17)23-19(28)15-25-11-13-26(14-12-25)20(29)9-6-10-27-21(30)16-24(2)22(27)31/h4-5,7-8H,3,6,9-16H2,1-2H3,(H,23,28)/p+1
InChIKeyGOAWWENMLHKBMM-UHFFFAOYSA-O
MW430.53 g/mol
LogP-0.41
Rot. Bonds8

About N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide (PubChem CID 9370252) has the molecular formula C22H32N5O4+ and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide
PubChem CID9370252
Molecular FormulaC22H32N5O4+
Molecular Weight430.53 g/mol
Exact Mass430.24
IUPAC NameN-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)CCCN2C(=O)CN(C)C2=O)CC1
InChIInChI=1S/C22H31N5O4/c1-3-17-7-4-5-8-18(17)23-19(28)15-25-11-13-26(14-12-25)20(29)9-6-10-27-21(30)16-24(2)22(27)31/h4-5,7-8H,3,6,9-16H2,1-2H3,(H,23,28)/p+1
InChIKeyGOAWWENMLHKBMM-UHFFFAOYSA-O
XLogP-0.41
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]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-ethylphenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide
CID 9022182
2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8679883
N-(2-ethylphenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide
CID 9022310
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022344
2-[4-[2-(4-acetamidophenyl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8745911
N-(2-ethylphenyl)-2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]acetamide
CID 9022236
N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide
CID 9225284
2-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022276
2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 9370381
2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022256
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9022188

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide (CID 9370252) is N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide is CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)CCCN2C(=O)CN(C)C2=O)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide?
The InChIKey is GOAWWENMLHKBMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N5O4/c1-3-17-7-4-5-8-18(17)23-19(28)15-25-11-13-26(14-12-25)20(29)9-6-10-27-21(30)16-24(2)22(27)31/h4-5,7-8H,3,6,9-16H2,1-2H3,(H,23,28)/p+1.
What are the key properties of N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide has a molecular weight of 430.53 g/mol, XLogP of -0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9370252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).