2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate

C23H46N2O6 — CID 143697641

IUPAC2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate
SMILESCCCCC(=O)OCC(C)OCC(C)OCC(C)OC(=O)CCN(C)CCCN(C)C
InChIInChI=1S/C23H46N2O6/c1-8-9-11-22(26)30-17-20(3)28-16-19(2)29-18-21(4)31-23(27)12-15-25(7)14-10-13-24(5)6/h19-21H,8-18H2,1-7H3
InChIKeyWFKXDYUXMLAFSL-UHFFFAOYSA-N
MW446.63 g/mol
LogP2.74
Rot. Bonds19

About 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate

2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate (PubChem CID 143697641) has the molecular formula C23H46N2O6 and a molecular weight of 446.63 g/mol. Its IUPAC name is 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate.

Molecular Properties

Compound Name2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate
PubChem CID143697641
Molecular FormulaC23H46N2O6
Molecular Weight446.63 g/mol
Exact Mass446.34
IUPAC Name2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate
SMILESCCCCC(=O)OCC(C)OCC(C)OCC(C)OC(=O)CCN(C)CCCN(C)C
InChIInChI=1S/C23H46N2O6/c1-8-9-11-22(26)30-17-20(3)28-16-19(2)29-18-21(4)31-23(27)12-15-25(7)14-10-13-24(5)6/h19-21H,8-18H2,1-7H3
InChIKeyWFKXDYUXMLAFSL-UHFFFAOYSA-N
XLogP2.74
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate
CID 59202459
2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate
CID 59193488
2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
2-(2-ethoxypropoxy)propyl pentanoate
CID 87425057
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
2-[4-(dimethylamino)butanoyloxy]propyl 2-heptylundecanoate
CID 170053559
2-[2-(3-sulfanylpropanoyloxy)propoxy]propyl 3-sulfanylpropanoate
CID 87065932

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate?
The IUPAC name of 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate (CID 143697641) is 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate.
What is the SMILES notation for 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate?
The canonical SMILES for 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate is CCCCC(=O)OCC(C)OCC(C)OCC(C)OC(=O)CCN(C)CCCN(C)C.
What is the InChIKey of 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate?
The InChIKey is WFKXDYUXMLAFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O6/c1-8-9-11-22(26)30-17-20(3)28-16-19(2)29-18-21(4)31-23(27)12-15-25(7)14-10-13-24(5)6/h19-21H,8-18H2,1-7H3.
What are the key properties of 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate?
2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate has a molecular weight of 446.63 g/mol, XLogP of 2.74, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate is sourced from PubChem (CID 143697641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).