[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate

C22H19NO4 — CID 7554634

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H19NO4/c1-26-20-14-8-7-13-19(20)23-21(24)15-27-22(25)18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyPLMPOGRHVGOMQM-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.16
Rot. Bonds6

About [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate

[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7554634) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
PubChem CID7554634
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H19NO4/c1-26-20-14-8-7-13-19(20)23-21(24)15-27-22(25)18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyPLMPOGRHVGOMQM-UHFFFAOYSA-N
XLogP4.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate 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-methoxyanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2406143
[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
CID 8002666
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229241
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229184
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229200
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate (CID 7554634) is [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate is COc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is PLMPOGRHVGOMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-20-14-8-7-13-19(20)23-21(24)15-27-22(25)18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate?
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 361.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 7554634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).