2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate

C17H35NO6 — CID 130468380

IUPAC2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
SMILESCCCCOCCN(CCOCCOC)CCOCCOC(C)=O
InChIInChI=1S/C17H35NO6/c1-4-5-9-21-10-6-18(7-11-22-14-13-20-3)8-12-23-15-16-24-17(2)19/h4-16H2,1-3H3
InChIKeyNHOUZQBVYWFCIW-UHFFFAOYSA-N
MW349.47 g/mol
LogP1.35
Rot. Bonds18

About 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate

2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate (PubChem CID 130468380) has the molecular formula C17H35NO6 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
PubChem CID130468380
Molecular FormulaC17H35NO6
Molecular Weight349.47 g/mol
Exact Mass349.25
IUPAC Name2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
SMILESCCCCOCCN(CCOCCOC)CCOCCOC(C)=O
InChIInChI=1S/C17H35NO6/c1-4-5-9-21-10-6-18(7-11-22-14-13-20-3)8-12-23-15-16-24-17(2)19/h4-16H2,1-3H3
InChIKeyNHOUZQBVYWFCIW-UHFFFAOYSA-N
XLogP1.35
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
CID 90456855
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-butoxyethyl acetate;propyl acetate
CID 19764185
2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate
CID 150039570
2-(2-decoxyethoxy)ethyl acetate
CID 526732
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-(2-butoxyethoxy)ethanol;2-methoxyethyl acetate;1-methoxypropan-2-ol
CID 174793686
2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
CID 150794446

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate?
The IUPAC name of 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate (CID 130468380) is 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate is CCCCOCCN(CCOCCOC)CCOCCOC(C)=O.
What is the InChIKey of 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate?
The InChIKey is NHOUZQBVYWFCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO6/c1-4-5-9-21-10-6-18(7-11-22-14-13-20-3)8-12-23-15-16-24-17(2)19/h4-16H2,1-3H3.
What are the key properties of 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate?
2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate has a molecular weight of 349.47 g/mol, XLogP of 1.35, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate is sourced from PubChem (CID 130468380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).