2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide

C15H32N4O5 — CID 177056741

IUPAC2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide
SMILESCOCCOCCNC(=O)COCCN1CCN(CCON)CC1
InChIInChI=1S/C15H32N4O5/c1-21-12-13-22-9-2-17-15(20)14-23-10-7-18-3-5-19(6-4-18)8-11-24-16/h2-14,16H2,1H3,(H,17,20)
InChIKeyJNRQRBCDTDJYCK-UHFFFAOYSA-N
MW348.44 g/mol
LogP-1.71
Rot. Bonds14

About 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide

2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide (PubChem CID 177056741) has the molecular formula C15H32N4O5 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide
PubChem CID177056741
Molecular FormulaC15H32N4O5
Molecular Weight348.44 g/mol
Exact Mass348.24
IUPAC Name2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide
SMILESCOCCOCCNC(=O)COCCN1CCN(CCON)CC1
InChIInChI=1S/C15H32N4O5/c1-21-12-13-22-9-2-17-15(20)14-23-10-7-18-3-5-19(6-4-18)8-11-24-16/h2-14,16H2,1H3,(H,17,20)
InChIKeyJNRQRBCDTDJYCK-UHFFFAOYSA-N
XLogP-1.71
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
2-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 113220096
2-(2-methoxyethoxy)-N-(2-piperidin-1-ylethyl)acetamide
CID 113223173
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane
CID 177054296
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144635038
N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 155582806
3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 109014994
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The IUPAC name of 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide (CID 177056741) is 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide is COCCOCCNC(=O)COCCN1CCN(CCON)CC1.
What is the InChIKey of 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The InChIKey is JNRQRBCDTDJYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O5/c1-21-12-13-22-9-2-17-15(20)14-23-10-7-18-3-5-19(6-4-18)8-11-24-16/h2-14,16H2,1H3,(H,17,20).
What are the key properties of 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide?
2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide has a molecular weight of 348.44 g/mol, XLogP of -1.71, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide is sourced from PubChem (CID 177056741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).