[2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate

C23H19NO4 — CID 2398489

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO4/c1-24(18-12-6-3-7-13-18)21(25)16-28-23(27)20-15-9-8-14-19(20)22(26)17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyAEDRSYRVLSEYDF-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.74
Rot. Bonds6

About [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate

[2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 2398489) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID2398489
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO4/c1-24(18-12-6-3-7-13-18)21(25)16-28-23(27)20-15-9-8-14-19(20)22(26)17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyAEDRSYRVLSEYDF-UHFFFAOYSA-N
XLogP3.74
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate (CID 2398489) is [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate is CN(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is AEDRSYRVLSEYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-24(18-12-6-3-7-13-18)21(25)16-28-23(27)20-15-9-8-14-19(20)22(26)17-10-4-2-5-11-17/h2-15H,16H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate?
[2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 373.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 2398489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).