4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol

C19H42N4O5 — CID 177055074

IUPAC4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol
SMILESCCOCCN1CCN(CCCC(=O)NC)CC1.COCCOCCNCO
InChIInChI=1S/C13H27N3O2.C6H15NO3/c1-3-18-12-11-16-9-7-15(8-10-16)6-4-5-13(17)14-2;1-9-4-5-10-3-2-7-6-8/h3-12H2,1-2H3,(H,14,17);7-8H,2-6H2,1H3
InChIKeyABMJTZFPDMSEOJ-UHFFFAOYSA-N
MW406.57 g/mol
LogP-0.64
Rot. Bonds15

About 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol

4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol (PubChem CID 177055074) has the molecular formula C19H42N4O5 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol.

Molecular Properties

Compound Name4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol
PubChem CID177055074
Molecular FormulaC19H42N4O5
Molecular Weight406.57 g/mol
Exact Mass406.32
IUPAC Name4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol
SMILESCCOCCN1CCN(CCCC(=O)NC)CC1.COCCOCCNCO
InChIInChI=1S/C13H27N3O2.C6H15NO3/c1-3-18-12-11-16-9-7-15(8-10-16)6-4-5-13(17)14-2;1-9-4-5-10-3-2-7-6-8/h3-12H2,1-2H3,(H,14,17);7-8H,2-6H2,1H3
InChIKeyABMJTZFPDMSEOJ-UHFFFAOYSA-N
XLogP-0.64
TPSA95.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxybutoxy)-N-methylhexanamide;3-[4-(2-methoxyethoxy)butoxy]-N-methylpropanamide;5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentanamide;8-(2-methoxyethoxy)-N-methyloctanamide;2-[5-(2-methoxyethoxy)pentoxy]-N-methylacetamide;4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide;5-(5-methoxypentoxy)-N-methylpentanamide;7-(3-methoxypropoxy)-N-methylheptanamide;N-methyl-2-[4-(4-methylpiperazin-1-yl)butoxy]acetamide;N-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]butoxy]acetamide;N-methyl-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]acetamide;N-methyl-2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetamide;N-methyl-2-[5-(4-methylpiperazin-1-yl)pentoxy]acetamide;N-methyl-2-[3-(4-methylpiperazin-1-yl)propoxy]acetamide
CID 158097425
2-[2-(3-methoxypropoxy)ethylamino]-N-methylacetamide
CID 103178535
4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide
CID 134579969
1,4-bis(3-methoxypropyl)piperazine;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperazine;2-(4-methoxybutoxy)-N-methylacetamide;1-(4-methoxybutyl)-4-(2-methoxyethyl)piperazine;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide;2-(2-methoxyethoxy)-N-methylacetamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;1-(7-methoxyheptyl)-4-methylpiperazine;methoxymethane;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide;1-methyl-4-[4-(4-methylpiperazin-1-yl)butyl]piperazine
CID 159751456
ethane;N-methyl-5-[3-(2-piperidin-1-ylethoxy)propoxy]pentanamide
CID 142391107
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide
CID 171081654
1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
CID 177020946
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 129207576
3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide
CID 58019725
2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 177056741

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol?
The IUPAC name of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol (CID 177055074) is 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol.
What is the SMILES notation for 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol?
The canonical SMILES for 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol is CCOCCN1CCN(CCCC(=O)NC)CC1.COCCOCCNCO.
What is the InChIKey of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol?
The InChIKey is ABMJTZFPDMSEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.C6H15NO3/c1-3-18-12-11-16-9-7-15(8-10-16)6-4-5-13(17)14-2;1-9-4-5-10-3-2-7-6-8/h3-12H2,1-2H3,(H,14,17);7-8H,2-6H2,1H3.
What are the key properties of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol?
4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol has a molecular weight of 406.57 g/mol, XLogP of -0.64, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyethyl)piperazin-1-yl]-N-methylbutanamide;[2-(2-methoxyethoxy)ethylamino]methanol is sourced from PubChem (CID 177055074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).