2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate

C19H38N2O9 — CID 59942580

IUPAC2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
SMILESCCOCOCCOC(=O)CCN(C)CCN(C)CCC(=O)OCCOCOCO
InChIInChI=1S/C19H38N2O9/c1-4-25-16-26-11-13-29-18(23)5-7-20(2)9-10-21(3)8-6-19(24)30-14-12-27-17-28-15-22/h22H,4-17H2,1-3H3
InChIKeyCWOKTMOXGZAUEC-UHFFFAOYSA-N
MW438.52 g/mol
LogP-0.33
Rot. Bonds21

About 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate

2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate (PubChem CID 59942580) has the molecular formula C19H38N2O9 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate.

Molecular Properties

Compound Name2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
PubChem CID59942580
Molecular FormulaC19H38N2O9
Molecular Weight438.52 g/mol
Exact Mass438.26
IUPAC Name2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
SMILESCCOCOCCOC(=O)CCN(C)CCN(C)CCC(=O)OCCOCOCO
InChIInChI=1S/C19H38N2O9/c1-4-25-16-26-11-13-29-18(23)5-7-20(2)9-10-21(3)8-6-19(24)30-14-12-27-17-28-15-22/h22H,4-17H2,1-3H3
InChIKeyCWOKTMOXGZAUEC-UHFFFAOYSA-N
XLogP-0.33
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
2-propoxyethyl 3-(diethylamino)propanoate
CID 58184879
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
butyl 3-[ethyl(methyl)amino]propanoate
CID 20769162
2-ethoxyethyl 4-oxopentanoate
CID 22556205
2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate
CID 164738857
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl 3-[2-[[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
CID 168851307
2-[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoyloxy]ethyl 3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoate
CID 168851388
2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
CID 150794446
2-hydroxyethyl 3-(dimethylamino)propanoate
CID 20769160

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate?
The IUPAC name of 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate (CID 59942580) is 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate.
What is the SMILES notation for 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate?
The canonical SMILES for 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate is CCOCOCCOC(=O)CCN(C)CCN(C)CCC(=O)OCCOCOCO.
What is the InChIKey of 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate?
The InChIKey is CWOKTMOXGZAUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O9/c1-4-25-16-26-11-13-29-18(23)5-7-20(2)9-10-21(3)8-6-19(24)30-14-12-27-17-28-15-22/h22H,4-17H2,1-3H3.
What are the key properties of 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate?
2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate has a molecular weight of 438.52 g/mol, XLogP of -0.33, 21 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)ethyl 3-[2-[[3-[2-(hydroxymethoxymethoxy)ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate is sourced from PubChem (CID 59942580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).