[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate

C24H23NO6 — CID 2605697

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)c(OC)c1
InChIInChI=1S/C24H23NO6/c1-28-18-12-13-20(22(14-18)29-2)25-23(26)16-31-24(27)19-10-6-7-11-21(19)30-15-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyVPQKPYOYTXSFGZ-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.08
Rot. Bonds9

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate (PubChem CID 2605697) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
PubChem CID2605697
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)c(OC)c1
InChIInChI=1S/C24H23NO6/c1-28-18-12-13-20(22(14-18)29-2)25-23(26)16-31-24(27)19-10-6-7-11-21(19)30-15-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyVPQKPYOYTXSFGZ-UHFFFAOYSA-N
XLogP4.08
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983616
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate
CID 2605864
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672322
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2645350
[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2358793
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497678
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate (CID 2605697) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate is COc1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate?
The InChIKey is VPQKPYOYTXSFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-28-18-12-13-20(22(14-18)29-2)25-23(26)16-31-24(27)19-10-6-7-11-21(19)30-15-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,25,26).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate has a molecular weight of 421.45 g/mol, XLogP of 4.08, 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] 2-phenylmethoxybenzoate is sourced from PubChem (CID 2605697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).