[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

C20H25N3O5S — CID 8732218

About [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 8732218) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

• Compound Name: [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
• PubChem CID: 8732218
• Molecular Formula: C20H25N3O5S
• Molecular Weight: 419.50 g/mol
• Exact Mass: 419.15
• IUPAC Name: [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
• SMILES: CCCNC(=O)CN(C)C(=O)COC(=O)c1ccccc1OCc1csc(C)n1
• InChI: InChI=1S/C20H25N3O5S/c1-4-9-21-18(24)10-23(3)19(25)12-28-20(26)16-7-5-6-8-17(16)27-11-15-13-29-14(2)22-15/h5-8,13H,4,9-12H2,1-3H3,(H,21,24)
• InChIKey: NHUHMZOFLWNAMA-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.50
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?

The IUPAC name of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (CID 8732218) is [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

What is the SMILES notation for [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?

The canonical SMILES for [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is CCCNC(=O)CN(C)C(=O)COC(=O)c1ccccc1OCc1csc(C)n1.

What is the InChIKey of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?

The InChIKey is NHUHMZOFLWNAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-4-9-21-18(24)10-23(3)19(25)12-28-20(26)16-7-5-6-8-17(16)27-11-15-13-29-14(2)22-15/h5-8,13H,4,9-12H2,1-3H3,(H,21,24).

What are the key properties of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?

[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 419.50 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 8732218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).