[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate

C24H23NO6 — CID 7727286

IUPAC[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H23NO6/c1-28-21-12-18(13-22(14-21)29-2)24(27)31-16-23(26)25-19-8-10-20(11-9-19)30-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyAVGMPUTVKPJBDM-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.08
Rot. Bonds9

About [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate (PubChem CID 7727286) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
PubChem CID7727286
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H23NO6/c1-28-21-12-18(13-22(14-21)29-2)24(27)31-16-23(26)25-19-8-10-20(11-9-19)30-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyAVGMPUTVKPJBDM-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-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727333
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628986
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
[2-(4-tert-butylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8528824
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648215
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8872463

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate (CID 7727286) is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate?
The InChIKey is AVGMPUTVKPJBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-28-21-12-18(13-22(14-21)29-2)24(27)31-16-23(26)25-19-8-10-20(11-9-19)30-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,25,26).
What are the key properties of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate?
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate 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-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 7727286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).