[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate

C23H21NO3 — CID 7229186

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2)cc1C
InChIInChI=1S/C23H21NO3/c1-16-12-13-19(14-17(16)2)24-22(25)15-27-23(26)21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyDABMPTCCMATNMN-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.77
Rot. Bonds5

About [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7229186) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
PubChem CID7229186
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2)cc1C
InChIInChI=1S/C23H21NO3/c1-16-12-13-19(14-17(16)2)24-22(25)15-27-23(26)21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyDABMPTCCMATNMN-UHFFFAOYSA-N
XLogP4.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7798138
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
CID 7554635
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 2335239
[2-(3,4-dimethylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619845
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(3,4-dimethylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536650
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497885
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 7605456
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate (CID 7229186) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate is Cc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is DABMPTCCMATNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-12-13-19(14-17(16)2)24-22(25)15-27-23(26)21-11-7-6-10-20(21)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 359.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 7229186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).