[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C14H18ClNO3 — CID 71820778

IUPAC[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCCN(CC)C(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-3-16(4-2)13(17)10-19-14(18)9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyLGRXNSICDUVXHK-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.29
Rot. Bonds6

About [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 71820778) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID71820778
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCCN(CC)C(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-3-16(4-2)13(17)10-19-14(18)9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyLGRXNSICDUVXHK-UHFFFAOYSA-N
XLogP2.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 9229334
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 55316083
[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55307860
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738869
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342519
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 71822913
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7699786
2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381431
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
2-(4-chlorophenyl)-N-ethoxyacetamide
CID 25353081

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 71820778) is [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is CCN(CC)C(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is LGRXNSICDUVXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-16(4-2)13(17)10-19-14(18)9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 283.75 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 71820778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).