2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate

C15H30N2O6 — CID 169151963

IUPAC2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate
SMILESCNCCN(CCC(=O)OCCOC)CCC(=O)OCCOC
InChIInChI=1S/C15H30N2O6/c1-16-6-9-17(7-4-14(18)22-12-10-20-2)8-5-15(19)23-13-11-21-3/h16H,4-13H2,1-3H3
InChIKeyADMSDQVYVWEKBX-UHFFFAOYSA-N
MW334.41 g/mol
LogP-0.33
Rot. Bonds15

About 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate

2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate (PubChem CID 169151963) has the molecular formula C15H30N2O6 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate
PubChem CID169151963
Molecular FormulaC15H30N2O6
Molecular Weight334.41 g/mol
Exact Mass334.21
IUPAC Name2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate
SMILESCNCCN(CCC(=O)OCCOC)CCC(=O)OCCOC
InChIInChI=1S/C15H30N2O6/c1-16-6-9-17(7-4-14(18)22-12-10-20-2)8-5-15(19)23-13-11-21-3/h16H,4-13H2,1-3H3
InChIKeyADMSDQVYVWEKBX-UHFFFAOYSA-N
XLogP-0.33
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate 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

2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate
CID 161393191
2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
CID 23544922
2-(2-propanoyloxyethyldisulfanyl)ethyl 3-[2-(methylamino)ethyl-propylamino]propanoate
CID 163985834
2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate
CID 176880518
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
butyl 3-[5-hydroxypentyl-[3-[6-[3-[5-hydroxypentyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]hexoxy]-3-oxopropyl]amino]propanoate
CID 176880609
tetradecyl 3-[3-methoxypropyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 58566875
tetradecyl 3-[2-[2-(methylamino)ethyldisulfanyl]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 171492329
2-methoxyethyl 4-(methylamino)-4-oxobutanoate
CID 159443764
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate
CID 156821481

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate?
The IUPAC name of 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate (CID 169151963) is 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate.
What is the SMILES notation for 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate?
The canonical SMILES for 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate is CNCCN(CCC(=O)OCCOC)CCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate?
The InChIKey is ADMSDQVYVWEKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O6/c1-16-6-9-17(7-4-14(18)22-12-10-20-2)8-5-15(19)23-13-11-21-3/h16H,4-13H2,1-3H3.
What are the key properties of 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate?
2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate has a molecular weight of 334.41 g/mol, XLogP of -0.33, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate is sourced from PubChem (CID 169151963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).