[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate

C19H20ClNO7 — CID 35943053

IUPAC[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESCOc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20ClNO7/c1-24-15-8-13(9-16(25-2)19(15)26-3)21-17(22)10-28-18(23)11-27-14-6-4-12(20)5-7-14/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyZSVBRZAFCUMBMZ-UHFFFAOYSA-N
MW409.82 g/mol
LogP2.93
Rot. Bonds9

About [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 35943053) has the molecular formula C19H20ClNO7 and a molecular weight of 409.82 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
PubChem CID35943053
Molecular FormulaC19H20ClNO7
Molecular Weight409.82 g/mol
Exact Mass409.09
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESCOc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20ClNO7/c1-24-15-8-13(9-16(25-2)19(15)26-3)21-17(22)10-28-18(23)11-27-14-6-4-12(20)5-7-14/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyZSVBRZAFCUMBMZ-UHFFFAOYSA-N
XLogP2.93
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26216294
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 3623294
methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
CID 2495618
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,5-dichlorobenzoate
CID 2487542
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665383
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855157
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855188
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate (CID 35943053) is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate is COc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is ZSVBRZAFCUMBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO7/c1-24-15-8-13(9-16(25-2)19(15)26-3)21-17(22)10-28-18(23)11-27-14-6-4-12(20)5-7-14/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate?
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 409.82 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 35943053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).