ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate

C13H25NO5 — CID 113330797

IUPACethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CCOC)CCC(=O)OC
InChIInChI=1S/C13H25NO5/c1-5-11(13(16)19-6-2)14(9-10-17-3)8-7-12(15)18-4/h11H,5-10H2,1-4H3
InChIKeyHOOIAPDKBDIMHR-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.84
Rot. Bonds10

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

ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate (PubChem CID 113330797) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
PubChem CID113330797
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nameethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CCOC)CCC(=O)OC
InChIInChI=1S/C13H25NO5/c1-5-11(13(16)19-6-2)14(9-10-17-3)8-7-12(15)18-4/h11H,5-10H2,1-4H3
InChIKeyHOOIAPDKBDIMHR-UHFFFAOYSA-N
XLogP0.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
CID 18914281
ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234
ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
CID 106617720
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
The IUPAC name of ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate (CID 113330797) is ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
The canonical SMILES for ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate is CCOC(=O)C(CC)N(CCOC)CCC(=O)OC.
What is the InChIKey of ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
The InChIKey is HOOIAPDKBDIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-5-11(13(16)19-6-2)14(9-10-17-3)8-7-12(15)18-4/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate has a molecular weight of 275.34 g/mol, XLogP of 0.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate is sourced from PubChem (CID 113330797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).