propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate

C23H42N2O9 — CID 91698004

IUPACpropyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate
SMILESCCCOC(=O)CN(CC(=O)OCCC)CC(O)CN(CC(=O)OCCC)CC(=O)OCCC
InChIInChI=1S/C23H42N2O9/c1-5-9-31-20(27)15-24(16-21(28)32-10-6-2)13-19(26)14-25(17-22(29)33-11-7-3)18-23(30)34-12-8-4/h19,26H,5-18H2,1-4H3
InChIKeyCRLWSCHUWWNWBO-UHFFFAOYSA-N
MW490.59 g/mol
LogP0.76
Rot. Bonds20

About propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate

propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate (PubChem CID 91698004) has the molecular formula C23H42N2O9 and a molecular weight of 490.59 g/mol. Its IUPAC name is propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate
PubChem CID91698004
Molecular FormulaC23H42N2O9
Molecular Weight490.59 g/mol
Exact Mass490.29
IUPAC Namepropyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate
SMILESCCCOC(=O)CN(CC(=O)OCCC)CC(O)CN(CC(=O)OCCC)CC(=O)OCCC
InChIInChI=1S/C23H42N2O9/c1-5-9-31-20(27)15-24(16-21(28)32-10-6-2)13-19(26)14-25(17-22(29)33-11-7-3)18-23(30)34-12-8-4/h19,26H,5-18H2,1-4H3
InChIKeyCRLWSCHUWWNWBO-UHFFFAOYSA-N
XLogP0.76
TPSA131.91 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.59
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate
CID 63932802
ethyl 2-[[3-[2-[[3-[bis(2-ethoxy-2-oxoethyl)amino]-2-hydroxypropoxy]methyl]-3-[3-(dipropylamino)-2-hydroxypropoxy]-2-[[3-(dipropylamino)-2-hydroxypropoxy]methyl]propoxy]-2-hydroxypropyl]-(2-ethoxy-2-oxoethyl)amino]acetate
CID 58436351
propyl 3-hydroxyhexanoate
CID 14915819
2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
CID 124630639
methyl 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63987192
propyl 4-bromo-2-hydroxybutanoate
CID 54121081
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814
propyl 3-aminobutanoate
CID 43247954
dipropyl (2R)-2-hydroxypentanedioate
CID 101034397
dipropyl 2-hydroxypentanedioate
CID 141161532
dodecyl 2-[[3-[5-[4-[bis(2-dodecoxy-2-oxoethyl)amino]-3-hydroxybutyl]nonadecyl-tetradecylamino]-2-hydroxypropyl]amino]acetate
CID 138548479
2-(octyldisulfanyl)ethyl 3-[[3-[bis[3-[2-(octyldisulfanyl)ethoxy]-3-oxopropyl]amino]-2-hydroxypropyl]-[3-[2-(octyldisulfanyl)ethoxy]-3-oxopropyl]amino]propanoate
CID 169182870

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate?
The IUPAC name of propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate (CID 91698004) is propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate.
What is the SMILES notation for propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate?
The canonical SMILES for propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate is CCCOC(=O)CN(CC(=O)OCCC)CC(O)CN(CC(=O)OCCC)CC(=O)OCCC.
What is the InChIKey of propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate?
The InChIKey is CRLWSCHUWWNWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O9/c1-5-9-31-20(27)15-24(16-21(28)32-10-6-2)13-19(26)14-25(17-22(29)33-11-7-3)18-23(30)34-12-8-4/h19,26H,5-18H2,1-4H3.
What are the key properties of propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate?
propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate has a molecular weight of 490.59 g/mol, XLogP of 0.76, 20 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate is sourced from PubChem (CID 91698004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).