[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate

C25H22N2O5 — CID 43023413

About [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate

[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate (PubChem CID 43023413) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate.

Molecular Properties

• Compound Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate
• PubChem CID: 43023413
• Molecular Formula: C25H22N2O5
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.15
• IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate
• SMILES: CC1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C25H22N2O5/c1-17-14-23(28)26-21-12-5-6-13-22(21)27(17)24(29)16-31-25(30)18-8-7-11-20(15-18)32-19-9-3-2-4-10-19/h2-13,15,17H,14,16H2,1H3,(H,26,28)
• InChIKey: CXGUJORDMPBHKB-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate?

The IUPAC name of [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate (CID 43023413) is [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate.

What is the SMILES notation for [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate?

The canonical SMILES for [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate is CC1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccc(Oc2ccccc2)c1.

What is the InChIKey of [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate?

The InChIKey is CXGUJORDMPBHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-17-14-23(28)26-21-12-5-6-13-22(21)27(17)24(29)16-31-25(30)18-8-7-11-20(15-18)32-19-9-3-2-4-10-19/h2-13,15,17H,14,16H2,1H3,(H,26,28).

What are the key properties of [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate?

[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate has a molecular weight of 430.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate is sourced from PubChem (CID 43023413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).