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

C23H21NO6 — CID 7838043

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H21NO6/c1-27-19-12-13-20(21(14-19)28-2)24-22(25)15-29-23(26)16-8-10-18(11-9-16)30-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyDDQVTAWWBGQPKR-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.29
Rot. Bonds8

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

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate (PubChem CID 7838043) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
PubChem CID7838043
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H21NO6/c1-27-19-12-13-20(21(14-19)28-2)24-22(25)15-29-23(26)16-8-10-18(11-9-16)30-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyDDQVTAWWBGQPKR-UHFFFAOYSA-N
XLogP4.29
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 55397543
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833836
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2500974
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate
CID 41174435
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-amino-4-methoxybenzoate
CID 71863645
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23943546
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 8702272
[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229792
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988252
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799809

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate (CID 7838043) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate is COc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate?
The InChIKey is DDQVTAWWBGQPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6/c1-27-19-12-13-20(21(14-19)28-2)24-22(25)15-29-23(26)16-8-10-18(11-9-16)30-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate has a molecular weight of 407.42 g/mol, XLogP of 4.29, 8 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] 4-phenoxybenzoate is sourced from PubChem (CID 7838043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).