N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide

C23H37N4O4+ — CID 9475238

IUPACN-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide
SMILESCCc1ccc(OCC(=O)N(C)CC(=O)N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C23H36N4O4/c1-6-18-7-9-19(10-8-18)31-17-22(30)25(5)16-21(29)27-13-11-26(12-14-27)15-20(28)24-23(2,3)4/h7-10H,6,11-17H2,1-5H3,(H,24,28)/p+1
InChIKeyAVCDWIADHLMXLQ-UHFFFAOYSA-O
MW433.57 g/mol
LogP-0.27
Rot. Bonds8

About N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide

N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide (PubChem CID 9475238) has the molecular formula C23H37N4O4+ and a molecular weight of 433.57 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide
PubChem CID9475238
Molecular FormulaC23H37N4O4+
Molecular Weight433.57 g/mol
Exact Mass433.28
IUPAC NameN-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide
SMILESCCc1ccc(OCC(=O)N(C)CC(=O)N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C23H36N4O4/c1-6-18-7-9-19(10-8-18)31-17-22(30)25(5)16-21(29)27-13-11-26(12-14-27)15-20(28)24-23(2,3)4/h7-10H,6,11-17H2,1-5H3,(H,24,28)/p+1
InChIKeyAVCDWIADHLMXLQ-UHFFFAOYSA-O
XLogP-0.27
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide with MolForge

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Related Compounds

N-tert-butyl-2-[4-[2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetyl]piperazin-1-yl]acetamide
CID 9475282
N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide
CID 9475186
[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-(4-ethylphenoxy)acetamide
CID 807221
2-(4-chlorophenoxy)-1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 7330223
2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454727
2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 18110379
2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220516
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43254054
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
N-tert-butyl-2-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide
CID 9078754

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide (CID 9475238) is N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide is CCc1ccc(OCC(=O)N(C)CC(=O)N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide?
The InChIKey is AVCDWIADHLMXLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H36N4O4/c1-6-18-7-9-19(10-8-18)31-17-22(30)25(5)16-21(29)27-13-11-26(12-14-27)15-20(28)24-23(2,3)4/h7-10H,6,11-17H2,1-5H3,(H,24,28)/p+1.
What are the key properties of N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide?
N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide has a molecular weight of 433.57 g/mol, XLogP of -0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9475238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).