diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium

C24H37N4O3+ — CID 7396526

About diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium

diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium (PubChem CID 7396526) has the molecular formula C24H37N4O3+ and a molecular weight of 429.59 g/mol. Its IUPAC name is diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium.

Molecular Properties

• Compound Name: diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium
• PubChem CID: 7396526
• Molecular Formula: C24H37N4O3+
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.29
• IUPAC Name: diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium
• SMILES: CCc1ccc(C(=O)N(CC(=O)Nc2cc(C)on2)[C@H](C)CCC[NH+](CC)CC)cc1
• InChI: InChI=1S/C24H36N4O3/c1-6-20-11-13-21(14-12-20)24(30)28(18(4)10-9-15-27(7-2)8-3)17-23(29)25-22-16-19(5)31-26-22/h11-14,16,18H,6-10,15,17H2,1-5H3,(H,25,26,29)/p+1/t18-/m1/s1
• InChIKey: LVSSDQUSLLEOGJ-GOSISDBHSA-O
• XLogP: 2.72
• TPSA: 79.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium?

The IUPAC name of diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium (CID 7396526) is diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium.

What is the SMILES notation for diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium?

The canonical SMILES for diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium is CCc1ccc(C(=O)N(CC(=O)Nc2cc(C)on2)[C@H](C)CCC[NH+](CC)CC)cc1.

What is the InChIKey of diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium?

The InChIKey is LVSSDQUSLLEOGJ-GOSISDBHSA-O. The full InChI is InChI=1S/C24H36N4O3/c1-6-20-11-13-21(14-12-20)24(30)28(18(4)10-9-15-27(7-2)8-3)17-23(29)25-22-16-19(5)31-26-22/h11-14,16,18H,6-10,15,17H2,1-5H3,(H,25,26,29)/p+1/t18-/m1/s1.

What are the key properties of diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium?

diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium has a molecular weight of 429.59 g/mol, XLogP of 2.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium is sourced from PubChem (CID 7396526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).