[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate

C18H19NO5 — CID 2715006

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1OC
InChIInChI=1S/C18H19NO5/c1-12-8-9-16(23-3)14(10-12)19-17(20)11-24-18(21)13-6-4-5-7-15(13)22-2/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyOSOUGOOTXCAOPG-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.81
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 2715006) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
PubChem CID2715006
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1OC
InChIInChI=1S/C18H19NO5/c1-12-8-9-16(23-3)14(10-12)19-17(20)11-24-18(21)13-6-4-5-7-15(13)22-2/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyOSOUGOOTXCAOPG-UHFFFAOYSA-N
XLogP2.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715032
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924944
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572664
[2-(2-iodoanilino)-2-oxoethyl] 2-methoxy-5-methylbenzoate
CID 35222238
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573573
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42967797
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42590250
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723432
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984751

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate (CID 2715006) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate is COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1OC.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is OSOUGOOTXCAOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12-8-9-16(23-3)14(10-12)19-17(20)11-24-18(21)13-6-4-5-7-15(13)22-2/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 329.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 2715006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).