[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate

C23H18N2O4 — CID 8701813

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2C#N)cc1
InChIInChI=1S/C23H18N2O4/c1-28-18-12-10-17(11-13-18)25-22(26)15-29-23(27)21-9-5-4-8-20(21)19-7-3-2-6-16(19)14-24/h2-13H,15H2,1H3,(H,25,26)
InChIKeyNGDPFMPVMZGMBK-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.03
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate

[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate (PubChem CID 8701813) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
PubChem CID8701813
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2C#N)cc1
InChIInChI=1S/C23H18N2O4/c1-28-18-12-10-17(11-13-18)25-22(26)15-29-23(27)21-9-5-4-8-20(21)19-7-3-2-6-16(19)14-24/h2-13H,15H2,1H3,(H,25,26)
InChIKeyNGDPFMPVMZGMBK-UHFFFAOYSA-N
XLogP4.03
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)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-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7521413
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate
CID 9309799
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239
2-oxopropyl 2-(2-cyanophenyl)benzoate
CID 7520288
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8702055
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540210
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 16618617
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916212
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2335269
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8540007
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8539979

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate (CID 8701813) is [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate is COc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2C#N)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
The InChIKey is NGDPFMPVMZGMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-18-12-10-17(11-13-18)25-22(26)15-29-23(27)21-9-5-4-8-20(21)19-7-3-2-6-16(19)14-24/h2-13H,15H2,1H3,(H,25,26).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate has a molecular weight of 386.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate is sourced from PubChem (CID 8701813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).