[2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate

C24H22N2O5 — CID 2639475

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H22N2O5/c1-26(18-10-4-3-5-11-18)23(28)20-13-6-7-14-21(20)24(29)31-16-22(27)25-17-9-8-12-19(15-17)30-2/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyZPXDUFAOSFUVAA-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.77
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate

[2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 2639475) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID2639475
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H22N2O5/c1-26(18-10-4-3-5-11-18)23(28)20-13-6-7-14-21(20)24(29)31-16-22(27)25-17-9-8-12-19(15-17)30-2/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyZPXDUFAOSFUVAA-UHFFFAOYSA-N
XLogP3.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate (CID 2639475) is [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate is COc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is ZPXDUFAOSFUVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-26(18-10-4-3-5-11-18)23(28)20-13-6-7-14-21(20)24(29)31-16-22(27)25-17-9-8-12-19(15-17)30-2/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 418.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 2639475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).