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

C13H29NO4 — CID 88512351

IUPAC[1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane
SMILESCCN(CC)C(O)(CC)OC(C)=O.CCOCC
InChIInChI=1S/C9H19NO3.C4H10O/c1-5-9(12,13-8(4)11)10(6-2)7-3;1-3-5-4-2/h12H,5-7H2,1-4H3;3-4H2,1-2H3
InChIKeyOXDBPXIOOBGJDG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.99
Rot. Bonds7

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

[1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane (PubChem CID 88512351) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane.

Molecular Properties

Compound Name[1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane
PubChem CID88512351
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name[1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane
SMILESCCN(CC)C(O)(CC)OC(C)=O.CCOCC
InChIInChI=1S/C9H19NO3.C4H10O/c1-5-9(12,13-8(4)11)10(6-2)7-3;1-3-5-4-2/h12H,5-7H2,1-4H3;3-4H2,1-2H3
InChIKeyOXDBPXIOOBGJDG-UHFFFAOYSA-N
XLogP1.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.99
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-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane
CID 87844456
ethoxyethane;ethyl acetate
CID 87087849
2-ethoxypropan-2-yl acetate
CID 19889183
ethoxyethane;ethyl acetate;hydrate
CID 86649789
acetyl 2-acetyloxy-2-(diethylamino)but-3-enoate
CID 174669547
acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane
CID 174687699
3-(diethylamino)-1-ethoxy-3-ethylpentan-2-ol
CID 79568434
dilithium;ethoxyethane;carbonate
CID 173429420
(3-ethyl-4,4,5,5-tetramethylhexan-3-yl) acetate
CID 143331495
3-carbonochloridoylpentan-3-yl acetate
CID 15557603
2-[(E)-2-acetyloxybutan-2-yldiazenyl]butan-2-yl acetate
CID 6436690
[1-butoxy-2-(2-ethoxyethoxy)-1-hydroxyethyl] acetate
CID 140525036

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane?
The IUPAC name of [1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane (CID 88512351) is [1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane.
What is the SMILES notation for [1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane?
The canonical SMILES for [1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane is CCN(CC)C(O)(CC)OC(C)=O.CCOCC.
What is the InChIKey of [1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane?
The InChIKey is OXDBPXIOOBGJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.C4H10O/c1-5-9(12,13-8(4)11)10(6-2)7-3;1-3-5-4-2/h12H,5-7H2,1-4H3;3-4H2,1-2H3.
What are the key properties of [1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane?
[1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane has a molecular weight of 263.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-1-hydroxypropyl] acetate;ethoxyethane is sourced from PubChem (CID 88512351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).