[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate

C19H20ClNO4 — CID 2105203

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
SMILESCC(C)c1ccc(NC(=O)COC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-13(2)14-7-9-15(10-8-14)21-18(22)11-25-19(23)12-24-17-6-4-3-5-16(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyYPTUUQZQBCMIAV-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.02
Rot. Bonds7

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 2105203) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
PubChem CID2105203
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
SMILESCC(C)c1ccc(NC(=O)COC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-13(2)14-7-9-15(10-8-14)21-18(22)11-25-19(23)12-24-17-6-4-3-5-16(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyYPTUUQZQBCMIAV-UHFFFAOYSA-N
XLogP4.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844626
2-(2-chlorophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 9293522
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847240
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865772
2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182
[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 41465436
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 8910812
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate (CID 2105203) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate is CC(C)c1ccc(NC(=O)COC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is YPTUUQZQBCMIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-13(2)14-7-9-15(10-8-14)21-18(22)11-25-19(23)12-24-17-6-4-3-5-16(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 361.83 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 2105203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).