4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one

C18H37NO4 — CID 166127058

IUPAC4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one
SMILESCCCCOCCNCCC(C)(C)OCCOC(C)CC(C)=O
InChIInChI=1S/C18H37NO4/c1-6-7-11-21-12-10-19-9-8-18(4,5)23-14-13-22-17(3)15-16(2)20/h17,19H,6-15H2,1-5H3
InChIKeyGEPZBQPTGUXGBJ-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.96
Rot. Bonds16

About 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one

4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one (PubChem CID 166127058) has the molecular formula C18H37NO4 and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one.

Molecular Properties

Compound Name4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one
PubChem CID166127058
Molecular FormulaC18H37NO4
Molecular Weight331.50 g/mol
Exact Mass331.27
IUPAC Name4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one
SMILESCCCCOCCNCCC(C)(C)OCCOC(C)CC(C)=O
InChIInChI=1S/C18H37NO4/c1-6-7-11-21-12-10-19-9-8-18(4,5)23-14-13-22-17(3)15-16(2)20/h17,19H,6-15H2,1-5H3
InChIKeyGEPZBQPTGUXGBJ-UHFFFAOYSA-N
XLogP2.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxypentan-2-one
CID 64698356
4-heptoxypentan-2-one
CID 64698347
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093
4-[3-methyl-3-[2-[2-methyl-4-(methylamino)butan-2-yl]oxyethoxy]butoxy]butan-2-one
CID 88565171
5-methyl-5-[3-methyl-3-[2-(propylamino)ethoxy]butoxy]hexan-2-one
CID 172602784
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
4-(2-butoxyethoxy)pentanoic acid
CID 62213441
3-(2-butoxyethylamino)-2-methylpropanoic acid
CID 61171284
2-butoxy-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757262
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one?
The IUPAC name of 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one (CID 166127058) is 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one.
What is the SMILES notation for 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one?
The canonical SMILES for 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one is CCCCOCCNCCC(C)(C)OCCOC(C)CC(C)=O.
What is the InChIKey of 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one?
The InChIKey is GEPZBQPTGUXGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO4/c1-6-7-11-21-12-10-19-9-8-18(4,5)23-14-13-22-17(3)15-16(2)20/h17,19H,6-15H2,1-5H3.
What are the key properties of 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one?
4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one has a molecular weight of 331.50 g/mol, XLogP of 2.96, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-butoxyethylamino)-2-methylbutan-2-yl]oxyethoxy]pentan-2-one is sourced from PubChem (CID 166127058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).