N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide

C22H23N5O3 — CID 51483205

About N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide

N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide (PubChem CID 51483205) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide
• PubChem CID: 51483205
• Molecular Formula: C22H23N5O3
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.18
• IUPAC Name: N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide
• SMILES: C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccccc1C#N
• InChI: InChI=1S/C22H23N5O3/c1-15-11-20(28)25-18-9-5-6-10-19(18)27(15)22(30)14-26(2)13-21(29)24-17-8-4-3-7-16(17)12-23/h3-10,15H,11,13-14H2,1-2H3,(H,24,29)(H,25,28)/t15-/m1/s1
• InChIKey: UUGOMPJBDIOBQG-OAHLLOKOSA-N
• XLogP: 2.19
• TPSA: 105.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide (CID 51483205) is N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide.

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

The canonical SMILES for N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide is C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccccc1C#N.

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

The InChIKey is UUGOMPJBDIOBQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15-11-20(28)25-18-9-5-6-10-19(18)27(15)22(30)14-26(2)13-21(29)24-17-8-4-3-7-16(17)12-23/h3-10,15H,11,13-14H2,1-2H3,(H,24,29)(H,25,28)/t15-/m1/s1.

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

N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide has a molecular weight of 405.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 51483205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).