[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate

C18H20N2O3 — CID 2519333

IUPAC[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-19(2)15-11-9-14(10-12-15)18(22)23-13-17(21)20(3)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyYIHDHVOFYIJALW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.57
Rot. Bonds5

About [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate

[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 2519333) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID2519333
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-19(2)15-11-9-14(10-12-15)18(22)23-13-17(21)20(3)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyYIHDHVOFYIJALW-UHFFFAOYSA-N
XLogP2.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(N-methylanilino)-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-(N-methylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 71823629
[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2431081
[2-(N-methylanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943232
[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 46860545
[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677118
[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501259
[2-(N-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952974
[2-(N-methylanilino)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 43026537
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2715062
[2-(N-methylanilino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502125
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate (CID 2519333) is [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is YIHDHVOFYIJALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19(2)15-11-9-14(10-12-15)18(22)23-13-17(21)20(3)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 312.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 2519333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).