[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C19H32N3O4+ — CID 8914243

About [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8914243) has the molecular formula C19H32N3O4+ and a molecular weight of 366.48 g/mol. Its IUPAC name is [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

• Compound Name: [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• PubChem CID: 8914243
• Molecular Formula: C19H32N3O4+
• Molecular Weight: 366.48 g/mol
• Exact Mass: 366.24
• IUPAC Name: [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• SMILES: COc1cc(C)c(CN(C)C(=O)C[NH+](C)CC(=O)NC(C)C)cc1OC
• InChI: InChI=1S/C19H31N3O4/c1-13(2)20-18(23)11-21(4)12-19(24)22(5)10-15-9-17(26-7)16(25-6)8-14(15)3/h8-9,13H,10-12H2,1-7H3,(H,20,23)/p+1
• InChIKey: GGGOEFNBBWVXPO-UHFFFAOYSA-O
• XLogP: 0.01
• TPSA: 72.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.48
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The IUPAC name of [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8914243) is [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

What is the SMILES notation for [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The canonical SMILES for [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is COc1cc(C)c(CN(C)C(=O)C[NH+](C)CC(=O)NC(C)C)cc1OC.

What is the InChIKey of [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The InChIKey is GGGOEFNBBWVXPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31N3O4/c1-13(2)20-18(23)11-21(4)12-19(24)22(5)10-15-9-17(26-7)16(25-6)8-14(15)3/h8-9,13H,10-12H2,1-7H3,(H,20,23)/p+1.

What are the key properties of [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 366.48 g/mol, XLogP of 0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8914243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).