[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate

C18H19NO4 — CID 2346667

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-19(2)15-8-4-14(5-9-15)18(21)23-12-17(20)13-6-10-16(22-3)11-7-13/h4-11H,12H2,1-3H3
InChIKeyZVMRIEUSFJLVAU-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.80
Rot. Bonds6

About [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 2346667) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID2346667
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-19(2)15-8-4-14(5-9-15)18(21)23-12-17(20)13-6-10-16(22-3)11-7-13/h4-11H,12H2,1-3H3
InChIKeyZVMRIEUSFJLVAU-UHFFFAOYSA-N
XLogP2.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
[2-(4-methoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834012
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46788854
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate
CID 2445149
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(dimethylamino)benzoate
CID 40738912
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228992

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate (CID 2346667) is [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate is COc1ccc(C(=O)COC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is ZVMRIEUSFJLVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-19(2)15-8-4-14(5-9-15)18(21)23-12-17(20)13-6-10-16(22-3)11-7-13/h4-11H,12H2,1-3H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 313.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 2346667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).