2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate

C15H27NO7 — CID 23544927

IUPAC2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
SMILESCCOCCOC(=O)CCN(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C15H27NO7/c1-4-20-11-12-23-15(19)5-6-16(7-9-21-13(2)17)8-10-22-14(3)18/h4-12H2,1-3H3
InChIKeySYXOMADZQILGKJ-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.38
Rot. Bonds13

About 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate

2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate (PubChem CID 23544927) has the molecular formula C15H27NO7 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
PubChem CID23544927
Molecular FormulaC15H27NO7
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Name2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
SMILESCCOCCOC(=O)CCN(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C15H27NO7/c1-4-20-11-12-23-15(19)5-6-16(7-9-21-13(2)17)8-10-22-14(3)18/h4-12H2,1-3H3
InChIKeySYXOMADZQILGKJ-UHFFFAOYSA-N
XLogP0.38
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

icosyl 3-[2-acetyloxyethyl(2-ethoxyethyl)amino]propanoate
CID 23544954
2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
CID 23544922
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
pentadecyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 13007527
2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
CID 150794446
2-acetyloxyethyl 4-ethoxybutanoate
CID 23405564
ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
CID 142463772
2-ethoxyethyl 4-oxopentanoate
CID 22556205
2-propoxyethyl 3-(diethylamino)propanoate
CID 58184879
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
CID 57261073

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate?
The IUPAC name of 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate (CID 23544927) is 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate.
What is the SMILES notation for 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate?
The canonical SMILES for 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate is CCOCCOC(=O)CCN(CCOC(C)=O)CCOC(C)=O.
What is the InChIKey of 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate?
The InChIKey is SYXOMADZQILGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO7/c1-4-20-11-12-23-15(19)5-6-16(7-9-21-13(2)17)8-10-22-14(3)18/h4-12H2,1-3H3.
What are the key properties of 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate?
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate has a molecular weight of 333.38 g/mol, XLogP of 0.38, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate is sourced from PubChem (CID 23544927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).