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

C22H46N4O5 — CID 59193488

IUPAC2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate
SMILESCC(COC(=O)CCN(C)CCN(C)C)OCC(C)OC(=O)CCN(C)CCN(C)C
InChIInChI=1S/C22H46N4O5/c1-19(17-30-21(27)9-11-25(7)15-13-23(3)4)29-18-20(2)31-22(28)10-12-26(8)16-14-24(5)6/h19-20H,9-18H2,1-8H3
InChIKeyFMTJZTYJSVGSBB-UHFFFAOYSA-N
MW446.63 g/mol
LogP0.63
Rot. Bonds18

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

2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate (PubChem CID 59193488) has the molecular formula C22H46N4O5 and a molecular weight of 446.63 g/mol. Its IUPAC name is 2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate.

Molecular Properties

Compound Name2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate
PubChem CID59193488
Molecular FormulaC22H46N4O5
Molecular Weight446.63 g/mol
Exact Mass446.35
IUPAC Name2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate
SMILESCC(COC(=O)CCN(C)CCN(C)C)OCC(C)OC(=O)CCN(C)CCN(C)C
InChIInChI=1S/C22H46N4O5/c1-19(17-30-21(27)9-11-25(7)15-13-23(3)4)29-18-20(2)31-22(28)10-12-26(8)16-14-24(5)6/h19-20H,9-18H2,1-8H3
InChIKeyFMTJZTYJSVGSBB-UHFFFAOYSA-N
XLogP0.63
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate
CID 59202459
2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate
CID 143697641
2-[2-(3-sulfanylpropanoyloxy)propoxy]propyl 3-sulfanylpropanoate
CID 87065932
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
2-[2-[2-(3-sulfanylbutanoyloxy)propoxy]propoxy]propyl 3-sulfanylbutanoate
CID 87066127
2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate
CID 118067128
4-[(2S)-2-(3-carboxypropanoyloxy)propoxy]-4-oxobutanoic acid
CID 118873147
4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid
CID 87468625
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
4-O-(1-acetyloxyethyl) 1-O-(2-acetyloxypropyl) butanedioate
CID 123883116
2-dodecanoyloxypropyl pentadecanoate
CID 74829220

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate?
The IUPAC name of 2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate (CID 59193488) is 2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate.
What is the SMILES notation for 2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate?
The canonical SMILES for 2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate is CC(COC(=O)CCN(C)CCN(C)C)OCC(C)OC(=O)CCN(C)CCN(C)C.
What is the InChIKey of 2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate?
The InChIKey is FMTJZTYJSVGSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N4O5/c1-19(17-30-21(27)9-11-25(7)15-13-23(3)4)29-18-20(2)31-22(28)10-12-26(8)16-14-24(5)6/h19-20H,9-18H2,1-8H3.
What are the key properties of 2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate?
2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate has a molecular weight of 446.63 g/mol, XLogP of 0.63, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate is sourced from PubChem (CID 59193488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).