[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium

C19H30N3O5+ — CID 8817948

About [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium

[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium (PubChem CID 8817948) has the molecular formula C19H30N3O5+ and a molecular weight of 380.47 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

• Compound Name: [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
• PubChem CID: 8817948
• Molecular Formula: C19H30N3O5+
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.22
• IUPAC Name: [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
• SMILES: CC[C@@H](C)[C@@H](NC(=O)C[NH+](C)CC(=O)Nc1ccc(OC)cc1)C(=O)OC
• InChI: InChI=1S/C19H29N3O5/c1-6-13(2)18(19(25)27-5)21-17(24)12-22(3)11-16(23)20-14-7-9-15(26-4)10-8-14/h7-10,13,18H,6,11-12H2,1-5H3,(H,20,23)(H,21,24)/p+1/t13-,18-/m1/s1
• InChIKey: OZZMCTSSUDVSHH-FZKQIMNGSA-O
• XLogP: -0.15
• TPSA: 98.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium?

The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium (CID 8817948) is [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium.

What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium?

The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium is CC[C@@H](C)[C@@H](NC(=O)C[NH+](C)CC(=O)Nc1ccc(OC)cc1)C(=O)OC.

What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium?

The InChIKey is OZZMCTSSUDVSHH-FZKQIMNGSA-O. The full InChI is InChI=1S/C19H29N3O5/c1-6-13(2)18(19(25)27-5)21-17(24)12-22(3)11-16(23)20-14-7-9-15(26-4)10-8-14/h7-10,13,18H,6,11-12H2,1-5H3,(H,20,23)(H,21,24)/p+1/t13-,18-/m1/s1.

What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium?

[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 380.47 g/mol, XLogP of -0.15, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8817948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).