[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate

C24H23NO3 — CID 2488999

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCc1ccc(CNC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-18-7-9-20(10-8-18)16-25-23(26)17-28-24(27)15-19-11-13-22(14-12-19)21-5-3-2-4-6-21/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeyPOSLRBVYPMQETE-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.06
Rot. Bonds7

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate (PubChem CID 2488999) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
PubChem CID2488999
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCc1ccc(CNC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-18-7-9-20(10-8-18)16-25-23(26)17-28-24(27)15-19-11-13-22(14-12-19)21-5-3-2-4-6-21/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeyPOSLRBVYPMQETE-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate (CID 2488999) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate is Cc1ccc(CNC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is POSLRBVYPMQETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-18-7-9-20(10-8-18)16-25-23(26)17-28-24(27)15-19-11-13-22(14-12-19)21-5-3-2-4-6-21/h2-14H,15-17H2,1H3,(H,25,26).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 373.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 2488999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).