2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate

C19H34N2O8 — CID 57261073

IUPAC2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
SMILESCC(=O)OCCN(CCCN(CCOC(C)=O)CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C19H34N2O8/c1-16(22)26-12-8-20(9-13-27-17(2)23)6-5-7-21(10-14-28-18(3)24)11-15-29-19(4)25/h5-15H2,1-4H3
InChIKeyLLGAAEWFGTYEFO-UHFFFAOYSA-N
MW418.49 g/mol
LogP0.23
Rot. Bonds16

About 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate

2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate (PubChem CID 57261073) has the molecular formula C19H34N2O8 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
PubChem CID57261073
Molecular FormulaC19H34N2O8
Molecular Weight418.49 g/mol
Exact Mass418.23
IUPAC Name2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
SMILESCC(=O)OCCN(CCCN(CCOC(C)=O)CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C19H34N2O8/c1-16(22)26-12-8-20(9-13-27-17(2)23)6-5-7-21(10-14-28-18(3)24)11-15-29-19(4)25/h5-15H2,1-4H3
InChIKeyLLGAAEWFGTYEFO-UHFFFAOYSA-N
XLogP0.23
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate
CID 138394684
2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate
CID 59709599
2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
CID 150794446
pentadecyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 13007527
2-[2-acetyloxyethyl-[(E)-but-2-enyl]amino]ethyl acetate
CID 142215768
2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate
CID 150039570
4-[2-acetyloxyethyl(cyanomethyl)amino]butanoic acid
CID 87867849
2-[bis(2-hydroxyethyl)amino]ethyl acetate;N,N-dimethylmethanamine;ethyl acetate;2-hydroxyethyl acetate
CID 142901861
3-[bis(prop-2-enyl)amino]propyl acetate
CID 87133425
ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
11-acetyloxyundecyl acetate
CID 87784419
2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
CID 130468380

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate?
The IUPAC name of 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate (CID 57261073) is 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate.
What is the SMILES notation for 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate?
The canonical SMILES for 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate is CC(=O)OCCN(CCCN(CCOC(C)=O)CCOC(C)=O)CCOC(C)=O.
What is the InChIKey of 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate?
The InChIKey is LLGAAEWFGTYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O8/c1-16(22)26-12-8-20(9-13-27-17(2)23)6-5-7-21(10-14-28-18(3)24)11-15-29-19(4)25/h5-15H2,1-4H3.
What are the key properties of 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate?
2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate has a molecular weight of 418.49 g/mol, XLogP of 0.23, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate is sourced from PubChem (CID 57261073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).