methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate

C13H24N2O7 — CID 91726553

IUPACmethyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
SMILESCOC(=O)CN(CCO)CCN(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C13H24N2O7/c1-20-11(17)8-14(6-7-16)4-5-15(9-12(18)21-2)10-13(19)22-3/h16H,4-10H2,1-3H3
InChIKeyORDPCRXYHZOMFA-UHFFFAOYSA-N
MW320.34 g/mol
LogP-1.90
Rot. Bonds11

About methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate

methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate (PubChem CID 91726553) has the molecular formula C13H24N2O7 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
PubChem CID91726553
Molecular FormulaC13H24N2O7
Molecular Weight320.34 g/mol
Exact Mass320.16
IUPAC Namemethyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
SMILESCOC(=O)CN(CCO)CCN(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C13H24N2O7/c1-20-11(17)8-14(6-7-16)4-5-15(9-12(18)21-2)10-13(19)22-3/h16H,4-10H2,1-3H3
InChIKeyORDPCRXYHZOMFA-UHFFFAOYSA-N
XLogP-1.90
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
The IUPAC name of methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate (CID 91726553) is methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
The canonical SMILES for methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate is COC(=O)CN(CCO)CCN(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
The InChIKey is ORDPCRXYHZOMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O7/c1-20-11(17)8-14(6-7-16)4-5-15(9-12(18)21-2)10-13(19)22-3/h16H,4-10H2,1-3H3.
What are the key properties of methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate has a molecular weight of 320.34 g/mol, XLogP of -1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 91726553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).