N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide

C21H33N4O3+ — CID 9475186

IUPACN-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N4O3/c1-16-6-8-17(9-7-16)20(28)23(5)15-19(27)25-12-10-24(11-13-25)14-18(26)22-21(2,3)4/h6-9H,10-15H2,1-5H3,(H,22,26)/p+1
InChIKeyKDCRERLEYVTHJM-UHFFFAOYSA-O
MW389.52 g/mol
LogP-0.29
Rot. Bonds5

About N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide

N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide (PubChem CID 9475186) has the molecular formula C21H33N4O3+ and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide
PubChem CID9475186
Molecular FormulaC21H33N4O3+
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC NameN-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N4O3/c1-16-6-8-17(9-7-16)20(28)23(5)15-19(27)25-12-10-24(11-13-25)14-18(26)22-21(2,3)4/h6-9H,10-15H2,1-5H3,(H,22,26)/p+1
InChIKeyKDCRERLEYVTHJM-UHFFFAOYSA-O
XLogP-0.29
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide 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-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide
CID 9475238
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992612
N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide
CID 86906125
[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923628
N-tert-butyl-2-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide
CID 9078754
[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133940
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
CID 31550657
N-tert-butyl-2-[4-[(4-propan-2-ylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9213693
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8916120
N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide
CID 8671777

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide?
The IUPAC name of N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide (CID 9475186) is N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide?
The canonical SMILES for N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide?
The InChIKey is KDCRERLEYVTHJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H32N4O3/c1-16-6-8-17(9-7-16)20(28)23(5)15-19(27)25-12-10-24(11-13-25)14-18(26)22-21(2,3)4/h6-9H,10-15H2,1-5H3,(H,22,26)/p+1.
What are the key properties of N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide?
N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide has a molecular weight of 389.52 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 9475186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).