[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate

C23H21NO3 — CID 2715820

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
SMILESCc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21NO3/c1-17-9-5-8-14-21(17)24-22(25)16-27-23(26)20-13-7-6-12-19(20)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyMLPVHDXREUBEGE-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.38
Rot. Bonds6

About [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate

[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate (PubChem CID 2715820) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
PubChem CID2715820
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
SMILESCc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21NO3/c1-17-9-5-8-14-21(17)24-22(25)16-27-23(26)20-13-7-6-12-19(20)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyMLPVHDXREUBEGE-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2335829
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-(2-benzylanilino)-2-oxoethyl] 5-fluoro-2-methylbenzoate
CID 37236944
[2-(2-benzylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7835066
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715818
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
[2-(2-benzylanilino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 7382290
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993
[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 8752596

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate (CID 2715820) is [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate is Cc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is MLPVHDXREUBEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-17-9-5-8-14-21(17)24-22(25)16-27-23(26)20-13-7-6-12-19(20)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate?
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 359.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 2715820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).