[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate

C20H23NO6 — CID 2600352

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCOc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-14-5-4-6-16(11-14)26-10-9-20(23)27-13-19(22)21-17-8-7-15(24-2)12-18(17)25-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)
InChIKeyUMLNIODMUJJPCB-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.96
Rot. Bonds9

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate (PubChem CID 2600352) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
PubChem CID2600352
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCOc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-14-5-4-6-16(11-14)26-10-9-20(23)27-13-19(22)21-17-8-7-15(24-2)12-18(17)25-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)
InChIKeyUMLNIODMUJJPCB-UHFFFAOYSA-N
XLogP2.96
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148116
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139426
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139420
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526175
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853568
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840691
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139425
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 2709343
ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate
CID 2092397
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840796
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529441

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate (CID 2600352) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate is COc1ccc(NC(=O)COC(=O)CCOc2cccc(C)c2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The InChIKey is UMLNIODMUJJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-14-5-4-6-16(11-14)26-10-9-20(23)27-13-19(22)21-17-8-7-15(24-2)12-18(17)25-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate has a molecular weight of 373.41 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 2600352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).