propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate

C22H40N2O8 — CID 615375

IUPACpropyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate
SMILESCCCOC(=O)CN(CCN(CC(=O)OCCC)CC(=O)OCCC)CC(=O)OCCC
InChIInChI=1S/C22H40N2O8/c1-5-11-29-19(25)15-23(16-20(26)30-12-6-2)9-10-24(17-21(27)31-13-7-3)18-22(28)32-14-8-4/h5-18H2,1-4H3
InChIKeyLAHAQBFRDZWRQZ-UHFFFAOYSA-N
MW460.57 g/mol
LogP1.40
Rot. Bonds19

About propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate

propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate (PubChem CID 615375) has the molecular formula C22H40N2O8 and a molecular weight of 460.57 g/mol. Its IUPAC name is propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate
PubChem CID615375
Molecular FormulaC22H40N2O8
Molecular Weight460.57 g/mol
Exact Mass460.28
IUPAC Namepropyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate
SMILESCCCOC(=O)CN(CCN(CC(=O)OCCC)CC(=O)OCCC)CC(=O)OCCC
InChIInChI=1S/C22H40N2O8/c1-5-11-29-19(25)15-23(16-20(26)30-12-6-2)9-10-24(17-21(27)31-13-7-3)18-22(28)32-14-8-4/h5-18H2,1-4H3
InChIKeyLAHAQBFRDZWRQZ-UHFFFAOYSA-N
XLogP1.40
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate?
The IUPAC name of propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate (CID 615375) is propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate.
What is the SMILES notation for propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate?
The canonical SMILES for propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate is CCCOC(=O)CN(CCN(CC(=O)OCCC)CC(=O)OCCC)CC(=O)OCCC.
What is the InChIKey of propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate?
The InChIKey is LAHAQBFRDZWRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O8/c1-5-11-29-19(25)15-23(16-20(26)30-12-6-2)9-10-24(17-21(27)31-13-7-3)18-22(28)32-14-8-4/h5-18H2,1-4H3.
What are the key properties of propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate?
propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate has a molecular weight of 460.57 g/mol, XLogP of 1.40, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[2-[bis(2-oxo-2-propoxyethyl)amino]ethyl-(2-oxo-2-propoxyethyl)amino]acetate is sourced from PubChem (CID 615375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).