[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate

C19H21NO5 — CID 2520086

IUPAC[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2cc(C)ccc2C)cc(OC)c1
InChIInChI=1S/C19H21NO5/c1-12-5-6-13(2)17(7-12)19(22)25-11-18(21)20-14-8-15(23-3)10-16(9-14)24-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyWNUQTQAANANUPR-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.12
Rot. Bonds6

About [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 2520086) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID2520086
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2cc(C)ccc2C)cc(OC)c1
InChIInChI=1S/C19H21NO5/c1-12-5-6-13(2)17(7-12)19(22)25-11-18(21)20-14-8-15(23-3)10-16(9-14)24-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyWNUQTQAANANUPR-UHFFFAOYSA-N
XLogP3.12
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 27625804
[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2336326
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 7604448
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520076
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715032
[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519687
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519875
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525429
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518490

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate (CID 2520086) is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate is COc1cc(NC(=O)COC(=O)c2cc(C)ccc2C)cc(OC)c1.
What is the InChIKey of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is WNUQTQAANANUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-5-6-13(2)17(7-12)19(22)25-11-18(21)20-14-8-15(23-3)10-16(9-14)24-4/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 343.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 2520086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).