2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate

C14H29NO3 — CID 129034644

IUPAC2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate
SMILESCCC(C)OCCNCCOC(=O)C(CC)CC
InChIInChI=1S/C14H29NO3/c1-5-12(4)17-10-8-15-9-11-18-14(16)13(6-2)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyBUDQAKYFRTZUSH-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.37
Rot. Bonds11

About 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate

2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate (PubChem CID 129034644) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate.

Molecular Properties

Compound Name2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate
PubChem CID129034644
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate
SMILESCCC(C)OCCNCCOC(=O)C(CC)CC
InChIInChI=1S/C14H29NO3/c1-5-12(4)17-10-8-15-9-11-18-14(16)13(6-2)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyBUDQAKYFRTZUSH-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate?
The IUPAC name of 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate (CID 129034644) is 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate.
What is the SMILES notation for 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate?
The canonical SMILES for 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate is CCC(C)OCCNCCOC(=O)C(CC)CC.
What is the InChIKey of 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate?
The InChIKey is BUDQAKYFRTZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-5-12(4)17-10-8-15-9-11-18-14(16)13(6-2)7-3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate?
2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate has a molecular weight of 259.39 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyethylamino)ethyl 2-ethylbutanoate is sourced from PubChem (CID 129034644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).