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

C13H25NO5 — CID 113330781

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

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

ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate (PubChem CID 113330781) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
PubChem CID113330781
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nameethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(CCOC)CCC(=O)OC
InChIInChI=1S/C13H25NO5/c1-5-19-13(16)10-11(2)14(8-9-17-3)7-6-12(15)18-4/h11H,5-10H2,1-4H3
InChIKeyXTRVYYIPGOVDIG-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 3-[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-methoxy-3-oxopropyl)amino]butanoate
CID 113330797
methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 62026047
ethyl 3-[bis(2-ethoxyethyl)amino]butanoate
CID 82951064
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
ethyl 3-[bis(3-methylbutyl)amino]butanoate
CID 107870305
ethyl 3-[ethoxycarbonyl-(3-ethoxy-3-oxopropyl)amino]butanoate
CID 15696583
4-O-ethyl 1-O-methyl butanedioate
CID 522068
methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
CID 78958993
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90208676
ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
The IUPAC name of ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate (CID 113330781) is ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
The canonical SMILES for ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate is CCOC(=O)CC(C)N(CCOC)CCC(=O)OC.
What is the InChIKey of ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
The InChIKey is XTRVYYIPGOVDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-5-19-13(16)10-11(2)14(8-9-17-3)7-6-12(15)18-4/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
ethyl 3-[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 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate is sourced from PubChem (CID 113330781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).