1-(diethylamino)ethyl 2-acetyloxybenzoate

C15H21NO4 — CID 3014546

IUPAC1-(diethylamino)ethyl 2-acetyloxybenzoate
SMILESCCN(CC)C(C)OC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C15H21NO4/c1-5-16(6-2)11(3)19-15(18)13-9-7-8-10-14(13)20-12(4)17/h7-11H,5-6H2,1-4H3
InChIKeyXADXDMKNTLRYAG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds6

About 1-(diethylamino)ethyl 2-acetyloxybenzoate

1-(diethylamino)ethyl 2-acetyloxybenzoate (PubChem CID 3014546) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(diethylamino)ethyl 2-acetyloxybenzoate.

Molecular Properties

Compound Name1-(diethylamino)ethyl 2-acetyloxybenzoate
PubChem CID3014546
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-(diethylamino)ethyl 2-acetyloxybenzoate
SMILESCCN(CC)C(C)OC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C15H21NO4/c1-5-16(6-2)11(3)19-15(18)13-9-7-8-10-14(13)20-12(4)17/h7-11H,5-6H2,1-4H3
InChIKeyXADXDMKNTLRYAG-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)ethyl 2-acetyloxybenzoate
CID 21481334
1-(diethylamino)ethyl 2-aminobenzoate
CID 174645415
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
1-(diethylamino)ethyl acetate;hydrochloride
CID 175006388
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
CID 66977286
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
6-(2-acetyloxybenzoyl)oxyhexyl 2-acetyloxybenzoate
CID 18720465
(2-acetyloxybenzoyl)-sulfanylazanium
CID 173416352
[2-(3-methyl-2-methylidenebutyl)phenyl] 2-acetyloxybenzoate
CID 165014621
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
[2-(2-hydroxyacetyl)phenyl] acetate
CID 101117820

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethyl 2-acetyloxybenzoate?
The IUPAC name of 1-(diethylamino)ethyl 2-acetyloxybenzoate (CID 3014546) is 1-(diethylamino)ethyl 2-acetyloxybenzoate.
What is the SMILES notation for 1-(diethylamino)ethyl 2-acetyloxybenzoate?
The canonical SMILES for 1-(diethylamino)ethyl 2-acetyloxybenzoate is CCN(CC)C(C)OC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of 1-(diethylamino)ethyl 2-acetyloxybenzoate?
The InChIKey is XADXDMKNTLRYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-16(6-2)11(3)19-15(18)13-9-7-8-10-14(13)20-12(4)17/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-(diethylamino)ethyl 2-acetyloxybenzoate?
1-(diethylamino)ethyl 2-acetyloxybenzoate has a molecular weight of 279.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethyl 2-acetyloxybenzoate is sourced from PubChem (CID 3014546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).