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

C19H26N4O5 — CID 8792288

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

ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate (PubChem CID 8792288) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate
• PubChem CID: 8792288
• Molecular Formula: C19H26N4O5
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.19
• IUPAC Name: ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate
• SMILES: CCOC(=O)NC(=O)CN(CC)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C
• InChI: InChI=1S/C19H26N4O5/c1-4-22(11-17(25)21-19(27)28-5-2)12-18(26)23-13(3)10-16(24)20-14-8-6-7-9-15(14)23/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25,27)/t13-/m1/s1
• InChIKey: TVEMMLZWEJBAMG-CYBMUJFWSA-N
• XLogP: 1.34
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate (CID 8792288) is ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate.

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

The canonical SMILES for ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C.

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

The InChIKey is TVEMMLZWEJBAMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-4-22(11-17(25)21-19(27)28-5-2)12-18(26)23-13(3)10-16(24)20-14-8-6-7-9-15(14)23/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25,27)/t13-/m1/s1.

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

ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate has a molecular weight of 390.44 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate is sourced from PubChem (CID 8792288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).