[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate

C23H21NO4 — CID 2334495

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c1-27-20-13-11-19(12-14-20)24-22(25)16-28-23(26)21-10-6-5-9-18(21)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyLVKLCPIRPLVXJN-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.08
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate

[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate (PubChem CID 2334495) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
PubChem CID2334495
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c1-27-20-13-11-19(12-14-20)24-22(25)16-28-23(26)21-10-6-5-9-18(21)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyLVKLCPIRPLVXJN-UHFFFAOYSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate 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-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715818
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzylbenzoate
CID 23847548
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540210
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 23825338

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate (CID 2334495) is [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate is COc1ccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is LVKLCPIRPLVXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-20-13-11-19(12-14-20)24-22(25)16-28-23(26)21-10-6-5-9-18(21)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 375.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 2334495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).