[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate

C24H23NO4 — CID 42901130

IUPAC[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
SMILESCOc1cccc(NC(=O)C(OC(=O)c2ccc(C)c(C)c2)c2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-16-12-13-19(14-17(16)2)24(27)29-22(18-8-5-4-6-9-18)23(26)25-20-10-7-11-21(15-20)28-3/h4-15,22H,1-3H3,(H,25,26)
InChIKeyBBHPHDIDHVNEQL-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.85
Rot. Bonds6

About [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate

[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate (PubChem CID 42901130) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
PubChem CID42901130
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
SMILESCOc1cccc(NC(=O)C(OC(=O)c2ccc(C)c(C)c2)c2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-16-12-13-19(14-17(16)2)24(27)29-22(18-8-5-4-6-9-18)23(26)25-20-10-7-11-21(15-20)28-3/h4-15,22H,1-3H3,(H,25,26)
InChIKeyBBHPHDIDHVNEQL-UHFFFAOYSA-N
XLogP4.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate 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-oxo-1-phenylethyl] 4-methylbenzoate
CID 4803163
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate
CID 2624663
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 42983758
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(methylsulfamoyl)benzoate
CID 2441225
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,3-dimethoxybenzoate
CID 2515766
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methoxynaphthalene-2-carboxylate
CID 4104730
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 2515095
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethoxybenzoate
CID 2083767
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2342352
[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethoxybenzoate
CID 2083766
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate (CID 42901130) is [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate is COc1cccc(NC(=O)C(OC(=O)c2ccc(C)c(C)c2)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate?
The InChIKey is BBHPHDIDHVNEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-12-13-19(14-17(16)2)24(27)29-22(18-8-5-4-6-9-18)23(26)25-20-10-7-11-21(15-20)28-3/h4-15,22H,1-3H3,(H,25,26).
What are the key properties of [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate?
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate has a molecular weight of 389.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 42901130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).