[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate

C18H19NO5 — CID 7953621

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H19NO5/c1-19-15-7-5-4-6-13(15)18(21)24-11-16(20)14-9-8-12(22-2)10-17(14)23-3/h4-10,19H,11H2,1-3H3
InChIKeyUOWMAGAYLKWMTD-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.79
Rot. Bonds7

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 7953621) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID7953621
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H19NO5/c1-19-15-7-5-4-6-13(15)18(21)24-11-16(20)14-9-8-12(22-2)10-17(14)23-3/h4-10,19H,11H2,1-3H3
InChIKeyUOWMAGAYLKWMTD-UHFFFAOYSA-N
XLogP2.79
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2637800
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833977
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837451

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate (CID 7953621) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is UOWMAGAYLKWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-19-15-7-5-4-6-13(15)18(21)24-11-16(20)14-9-8-12(22-2)10-17(14)23-3/h4-10,19H,11H2,1-3H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 329.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 7953621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).