[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate

C19H21NO5 — CID 46924944

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2OC)c(C)c1
InChIInChI=1S/C19H21NO5/c1-12-5-8-17(24-4)16(9-12)20-18(21)11-25-19(22)15-7-6-14(23-3)10-13(15)2/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyYQKSLDWMGSHYDR-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.12
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate (PubChem CID 46924944) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
PubChem CID46924944
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2OC)c(C)c1
InChIInChI=1S/C19H21NO5/c1-12-5-8-17(24-4)16(9-12)20-18(21)11-25-19(22)15-7-6-14(23-3)10-13(15)2/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyYQKSLDWMGSHYDR-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-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924950
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544243
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799809
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544216
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283
dimethyl 2-[[2-(2,4-dimethoxybenzoyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 2505044

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate (CID 46924944) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate is COc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2OC)c(C)c1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate?
The InChIKey is YQKSLDWMGSHYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-5-8-17(24-4)16(9-12)20-18(21)11-25-19(22)15-7-6-14(23-3)10-13(15)2/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate 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-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate is sourced from PubChem (CID 46924944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).