ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene

C40H57N5O7 — CID 144562073

About ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene

ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene (PubChem CID 144562073) has the molecular formula C40H57N5O7 and a molecular weight of 719.92 g/mol. Its IUPAC name is ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene.

Molecular Properties

• Compound Name: ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene
• PubChem CID: 144562073
• Molecular Formula: C40H57N5O7
• Molecular Weight: 719.92 g/mol
• Exact Mass: 719.43
• IUPAC Name: ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene
• SMILES: CCc1cc(CC(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)C2CO2)no1.CCc1ccccc1.Cc1ccccc1
• InChI: InChI=1S/C25H39N5O7.C8H10.C7H8/c1-6-17-9-16(30-37-17)10-21(31)26-11-22(32)29-19(8-15(4)5)25(35)27-12-23(33)28-18(7-14(2)3)24(34)20-13-36-20;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7/h9,14-15,18-20H,6-8,10-13H2,1-5H3,(H,26,31)(H,27,35)(H,28,33)(H,29,32);3-7H,2H2,1H3;2-6H,1H3
• InChIKey: HGUHBSFDWYYSDA-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 172.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	719.92
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene?

The IUPAC name of ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene (CID 144562073) is ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene.

What is the SMILES notation for ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene?

The canonical SMILES for ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene is CCc1cc(CC(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)C2CO2)no1.CCc1ccccc1.Cc1ccccc1.

What is the InChIKey of ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene?

The InChIKey is HGUHBSFDWYYSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O7.C8H10.C7H8/c1-6-17-9-16(30-37-17)10-21(31)26-11-22(32)29-19(8-15(4)5)25(35)27-12-23(33)28-18(7-14(2)3)24(34)20-13-36-20;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7/h9,14-15,18-20H,6-8,10-13H2,1-5H3,(H,26,31)(H,27,35)(H,28,33)(H,29,32);3-7H,2H2,1H3;2-6H,1H3.

What are the key properties of ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene?

ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene has a molecular weight of 719.92 g/mol, XLogP of 4.29, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethylbenzene;2-[[2-[[2-(5-ethyl-1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]-4-methyl-N-[2-[[4-methyl-1-(oxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanamide;toluene is sourced from PubChem (CID 144562073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).