2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride

C16H24ClNO3 — CID 159121513

IUPAC2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccccc1CC(C)=O.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-4-17(5-2)10-11-20-16(19)15-9-7-6-8-14(15)12-13(3)18;/h6-9H,4-5,10-12H2,1-3H3;1H
InChIKeyLYOVVUWXUHKYNJ-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.74
Rot. Bonds8

About 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride

2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride (PubChem CID 159121513) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride
PubChem CID159121513
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccccc1CC(C)=O.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-4-17(5-2)10-11-20-16(19)15-9-7-6-8-14(15)12-13(3)18;/h6-9H,4-5,10-12H2,1-3H3;1H
InChIKeyLYOVVUWXUHKYNJ-UHFFFAOYSA-N
XLogP2.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-[2-(diethylamino)ethyl] 1-O-hexyl benzene-1,2-dicarboxylate
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[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride
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bis[2-(diethylamino)ethyl] 3-aminobenzene-1,2-dicarboxylate
CID 71441917
2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride
CID 138400827
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
bis[2-(diheptylamino)ethyl] benzene-1,2-dicarboxylate
CID 139956607
bis[2-(dihexylamino)ethyl] benzene-1,2-dicarboxylate
CID 139956457
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 3-amino-2-butoxybenzoate
CID 19247
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CID 54609530

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride (CID 159121513) is 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride is CCN(CC)CCOC(=O)c1ccccc1CC(C)=O.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride?
The InChIKey is LYOVVUWXUHKYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-4-17(5-2)10-11-20-16(19)15-9-7-6-8-14(15)12-13(3)18;/h6-9H,4-5,10-12H2,1-3H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride?
2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride has a molecular weight of 313.82 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(2-oxopropyl)benzoate;hydrochloride is sourced from PubChem (CID 159121513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).