[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

C20H21NO7 — CID 8526175

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCOc1ccc(NC(=O)COC(=O)COc2cccc(C(C)=O)c2)c(OC)c1
InChIInChI=1S/C20H21NO7/c1-13(22)14-5-4-6-16(9-14)27-12-20(24)28-11-19(23)21-17-8-7-15(25-2)10-18(17)26-3/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyMMKZENFCSWUKPQ-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.47
Rot. Bonds9

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 8526175) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
PubChem CID8526175
Molecular FormulaC20H21NO7
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCOc1ccc(NC(=O)COC(=O)COc2cccc(C(C)=O)c2)c(OC)c1
InChIInChI=1S/C20H21NO7/c1-13(22)14-5-4-6-16(9-14)27-12-20(24)28-11-19(23)21-17-8-7-15(25-2)10-18(17)26-3/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyMMKZENFCSWUKPQ-UHFFFAOYSA-N
XLogP2.47
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539686
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902950
ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate
CID 2092397
2-(2-acetamido-5-acetylphenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 24534009
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600352
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903034
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907755
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (CID 8526175) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is COc1ccc(NC(=O)COC(=O)COc2cccc(C(C)=O)c2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is MMKZENFCSWUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7/c1-13(22)14-5-4-6-16(9-14)27-12-20(24)28-11-19(23)21-17-8-7-15(25-2)10-18(17)26-3/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 387.39 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 8526175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).