[1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane

C17H37NO4 — CID 87844456

IUPAC[1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane
SMILESCCCCN(CCCC)C(O)(CC)OC(C)=O.CCOCC
InChIInChI=1S/C13H27NO3.C4H10O/c1-5-8-10-14(11-9-6-2)13(16,7-3)17-12(4)15;1-3-5-4-2/h16H,5-11H2,1-4H3;3-4H2,1-2H3
InChIKeyCXKSPFYPQGCDBD-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.55
Rot. Bonds11

About [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane

[1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane (PubChem CID 87844456) has the molecular formula C17H37NO4 and a molecular weight of 319.49 g/mol. Its IUPAC name is [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane.

Molecular Properties

Compound Name[1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane
PubChem CID87844456
Molecular FormulaC17H37NO4
Molecular Weight319.49 g/mol
Exact Mass319.27
IUPAC Name[1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane
SMILESCCCCN(CCCC)C(O)(CC)OC(C)=O.CCOCC
InChIInChI=1S/C13H27NO3.C4H10O/c1-5-8-10-14(11-9-6-2)13(16,7-3)17-12(4)15;1-3-5-4-2/h16H,5-11H2,1-4H3;3-4H2,1-2H3
InChIKeyCXKSPFYPQGCDBD-UHFFFAOYSA-N
XLogP3.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane
CID 88512351
[1-butoxy-2-(2-ethoxyethoxy)-1-hydroxyethyl] acetate
CID 140525036
butan-1-ol;ethoxyethane;ethyl acetate
CID 87367562
3-acetyloxyundecan-3-yl acetate
CID 138404207
N-butyl-2-ethoxy-N-ethylacetamide
CID 4277867
ethoxyethane;ethyl acetate
CID 87087849
3-chlorooctan-3-yl acetate
CID 142628570
2-ethoxypropan-2-yl acetate
CID 19889183
9-octyloctadecan-9-yl acetate
CID 87256953
13-dodecylpentacosan-13-yl acetate
CID 57064481
butyl acetate;ethoxyethane;2-methylpentane-2,4-diol
CID 166791403
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406

Frequently Asked Questions

What is the IUPAC name of [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane?
The IUPAC name of [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane (CID 87844456) is [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane.
What is the SMILES notation for [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane?
The canonical SMILES for [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane is CCCCN(CCCC)C(O)(CC)OC(C)=O.CCOCC.
What is the InChIKey of [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane?
The InChIKey is CXKSPFYPQGCDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3.C4H10O/c1-5-8-10-14(11-9-6-2)13(16,7-3)17-12(4)15;1-3-5-4-2/h16H,5-11H2,1-4H3;3-4H2,1-2H3.
What are the key properties of [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane?
[1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane has a molecular weight of 319.49 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane is sourced from PubChem (CID 87844456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).