N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide

C26H25N3O4 — CID 25489581

About N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide

N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide (PubChem CID 25489581) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide.

Molecular Properties

• Compound Name: N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide
• PubChem CID: 25489581
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide
• SMILES: C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(C(=O)NCc2ccccc2)c1
• InChI: InChI=1S/C26H25N3O4/c1-18-14-24(30)28-22-12-5-6-13-23(22)29(18)25(31)17-33-21-11-7-10-20(15-21)26(32)27-16-19-8-3-2-4-9-19/h2-13,15,18H,14,16-17H2,1H3,(H,27,32)(H,28,30)/t18-/m0/s1
• InChIKey: BSJYMANBALXOJZ-SFHVURJKSA-N
• XLogP: 3.76
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide?

The IUPAC name of N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide (CID 25489581) is N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide.

What is the SMILES notation for N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide?

The canonical SMILES for N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide is C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(C(=O)NCc2ccccc2)c1.

What is the InChIKey of N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide?

The InChIKey is BSJYMANBALXOJZ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-18-14-24(30)28-22-12-5-6-13-23(22)29(18)25(31)17-33-21-11-7-10-20(15-21)26(32)27-16-19-8-3-2-4-9-19/h2-13,15,18H,14,16-17H2,1H3,(H,27,32)(H,28,30)/t18-/m0/s1.

What are the key properties of N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide?

N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide has a molecular weight of 443.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 25489581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).