[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate

C23H21NO5 — CID 41174435

IUPAC[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-16-7-11-19(12-8-16)29-21-6-4-3-5-20(21)24-22(25)15-28-23(26)17-9-13-18(27-2)14-10-17/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyCSQIDAPZPDPZKV-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.59
Rot. Bonds7

About [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate

[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate (PubChem CID 41174435) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate
PubChem CID41174435
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-16-7-11-19(12-8-16)29-21-6-4-3-5-20(21)24-22(25)15-28-23(26)17-9-13-18(27-2)14-10-17/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyCSQIDAPZPDPZKV-UHFFFAOYSA-N
XLogP4.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-amino-4-methoxybenzoate
CID 71863645
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 42463282
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 8702272
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
CID 36698413
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988252
N-(2-methoxyphenyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24647330
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate
CID 2510209
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate (CID 41174435) is [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1.
What is the InChIKey of [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is CSQIDAPZPDPZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-16-7-11-19(12-8-16)29-21-6-4-3-5-20(21)24-22(25)15-28-23(26)17-9-13-18(27-2)14-10-17/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate?
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 391.42 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate is sourced from PubChem (CID 41174435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).