[1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

C16H22ClNO4 — CID 652623

IUPAC[1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCCN(CC)C(=O)C(C)OC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C16H22ClNO4/c1-5-18(6-2)16(20)12(4)22-15(19)10-21-14-8-7-13(17)9-11(14)3/h7-9,12H,5-6,10H2,1-4H3
InChIKeyVJJTZTYJMGZTSQ-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.83
Rot. Bonds7

About [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

[1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 652623) has the molecular formula C16H22ClNO4 and a molecular weight of 327.81 g/mol. Its IUPAC name is [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID652623
Molecular FormulaC16H22ClNO4
Molecular Weight327.81 g/mol
Exact Mass327.12
IUPAC Name[1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCCN(CC)C(=O)C(C)OC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C16H22ClNO4/c1-5-18(6-2)16(20)12(4)22-15(19)10-21-14-8-7-13(17)9-11(14)3/h7-9,12H,5-6,10H2,1-4H3
InChIKeyVJJTZTYJMGZTSQ-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate (CID 652623) is [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate is CCN(CC)C(=O)C(C)OC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is VJJTZTYJMGZTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO4/c1-5-18(6-2)16(20)12(4)22-15(19)10-21-14-8-7-13(17)9-11(14)3/h7-9,12H,5-6,10H2,1-4H3.
What are the key properties of [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate?
[1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 327.81 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 652623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).