[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate

C20H22ClNO4 — CID 7762816

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCc1cccc(NC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H22ClNO4/c1-13-6-5-7-17(14(13)2)22-18(23)12-25-19(24)20(3,4)26-16-10-8-15(21)9-11-16/h5-11H,12H2,1-4H3,(H,22,23)
InChIKeyIRWIESMDHQPPPN-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.30
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 7762816) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID7762816
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCc1cccc(NC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H22ClNO4/c1-13-6-5-7-17(14(13)2)22-18(23)12-25-19(24)20(3,4)26-16-10-8-15(21)9-11-16/h5-11H,12H2,1-4H3,(H,22,23)
InChIKeyIRWIESMDHQPPPN-UHFFFAOYSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate
CID 7951075
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762705
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840960
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762853
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855530
N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437458
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 9200072
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779559

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (CID 7762816) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate is Cc1cccc(NC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is IRWIESMDHQPPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-13-6-5-7-17(14(13)2)22-18(23)12-25-19(24)20(3,4)26-16-10-8-15(21)9-11-16/h5-11H,12H2,1-4H3,(H,22,23).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 375.85 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 7762816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).