2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate

C15H29NO7 — CID 150794446

IUPAC2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
SMILESCCOCOCCOCCN(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C15H29NO7/c1-4-19-13-21-12-11-20-8-5-16(6-9-22-14(2)17)7-10-23-15(3)18/h4-13H2,1-3H3
InChIKeyKENRSEDVMBRZKX-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.44
Rot. Bonds15

About 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate

2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate (PubChem CID 150794446) has the molecular formula C15H29NO7 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
PubChem CID150794446
Molecular FormulaC15H29NO7
Molecular Weight335.40 g/mol
Exact Mass335.19
IUPAC Name2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
SMILESCCOCOCCOCCN(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C15H29NO7/c1-4-19-13-21-12-11-20-8-5-16(6-9-22-14(2)17)7-10-23-15(3)18/h4-13H2,1-3H3
InChIKeyKENRSEDVMBRZKX-UHFFFAOYSA-N
XLogP0.44
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
CID 130468380
2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
CID 57261073
2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate
CID 150039570
icosyl 3-[2-acetyloxyethyl(2-ethoxyethyl)amino]propanoate
CID 23544954
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
ethane;2-[3-ethoxypropanoyl(methyl)amino]ethyl acetate
CID 142463772
2-[bis(2-hydroxyethyl)amino]ethyl acetate;N,N-dimethylmethanamine;ethyl acetate;2-hydroxyethyl acetate
CID 142901861
2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
CID 88906932
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
2-[2-chloroethyl(ethyl)amino]ethyl acetate;iodomethane
CID 159717423

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate?
The IUPAC name of 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate (CID 150794446) is 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate.
What is the SMILES notation for 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate?
The canonical SMILES for 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate is CCOCOCCOCCN(CCOC(C)=O)CCOC(C)=O.
What is the InChIKey of 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate?
The InChIKey is KENRSEDVMBRZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO7/c1-4-19-13-21-12-11-20-8-5-16(6-9-22-14(2)17)7-10-23-15(3)18/h4-13H2,1-3H3.
What are the key properties of 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate?
2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate has a molecular weight of 335.40 g/mol, XLogP of 0.44, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate is sourced from PubChem (CID 150794446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).