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

C19H38N2O5 — CID 59202459

IUPAC2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate
SMILESCCCC(=O)OCC(C)OCC(C)OC(=O)CCN(C)CCCN(C)C
InChIInChI=1S/C19H38N2O5/c1-7-9-18(22)25-14-16(2)24-15-17(3)26-19(23)10-13-21(6)12-8-11-20(4)5/h16-17H,7-15H2,1-6H3
InChIKeyVHQICTVYWKJQTD-UHFFFAOYSA-N
MW374.52 g/mol
LogP1.94
Rot. Bonds15

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

2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate (PubChem CID 59202459) has the molecular formula C19H38N2O5 and a molecular weight of 374.52 g/mol. Its IUPAC name is 2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate.

Molecular Properties

Compound Name2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate
PubChem CID59202459
Molecular FormulaC19H38N2O5
Molecular Weight374.52 g/mol
Exact Mass374.28
IUPAC Name2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate
SMILESCCCC(=O)OCC(C)OCC(C)OC(=O)CCN(C)CCCN(C)C
InChIInChI=1S/C19H38N2O5/c1-7-9-18(22)25-14-16(2)24-15-17(3)26-19(23)10-13-21(6)12-8-11-20(4)5/h16-17H,7-15H2,1-6H3
InChIKeyVHQICTVYWKJQTD-UHFFFAOYSA-N
XLogP1.94
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate
CID 143697641
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-(3-sulfanylpropanoyloxy)propoxy]propyl 3-sulfanylpropanoate
CID 87065932
[(2S)-2-butanoyloxypropyl] hexadecanoate
CID 138105943
[(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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate?
The IUPAC name of 2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate (CID 59202459) is 2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate.
What is the SMILES notation for 2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate?
The canonical SMILES for 2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate is CCCC(=O)OCC(C)OCC(C)OC(=O)CCN(C)CCCN(C)C.
What is the InChIKey of 2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate?
The InChIKey is VHQICTVYWKJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O5/c1-7-9-18(22)25-14-16(2)24-15-17(3)26-19(23)10-13-21(6)12-8-11-20(4)5/h16-17H,7-15H2,1-6H3.
What are the key properties of 2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate?
2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate has a molecular weight of 374.52 g/mol, XLogP of 1.94, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate is sourced from PubChem (CID 59202459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).