ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate

C13H27NO4 — CID 64660449

IUPACethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CCCOC)CCOC
InChIInChI=1S/C13H27NO4/c1-5-12(13(15)18-6-2)14(9-11-17-4)8-7-10-16-3/h12H,5-11H2,1-4H3
InChIKeyAAZJURIILKAZKJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.31
Rot. Bonds11

About ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate

ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate (PubChem CID 64660449) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
PubChem CID64660449
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nameethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CCCOC)CCOC
InChIInChI=1S/C13H27NO4/c1-5-12(13(15)18-6-2)14(9-11-17-4)8-7-10-16-3/h12H,5-11H2,1-4H3
InChIKeyAAZJURIILKAZKJ-UHFFFAOYSA-N
XLogP1.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330797
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
CID 106617720
4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide
CID 66428252
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
2-[2-methoxyethyl(methyl)amino]butanamide
CID 62900283

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate?
The IUPAC name of ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate (CID 64660449) is ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate?
The canonical SMILES for ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate is CCOC(=O)C(CC)N(CCCOC)CCOC.
What is the InChIKey of ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate?
The InChIKey is AAZJURIILKAZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-5-12(13(15)18-6-2)14(9-11-17-4)8-7-10-16-3/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate?
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate has a molecular weight of 261.36 g/mol, XLogP of 1.31, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate is sourced from PubChem (CID 64660449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).