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

C20H34N3O4+ — CID 8792924

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

[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8792924) has the molecular formula C20H34N3O4+ and a molecular weight of 380.51 g/mol. Its IUPAC name is [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

• Compound Name: [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• PubChem CID: 8792924
• Molecular Formula: C20H34N3O4+
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.25
• IUPAC Name: [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• SMILES: CC[NH+](CC(=O)NC(C)C)CC(=O)N(C)Cc1cc(OC)c(OC)cc1C
• InChI: InChI=1S/C20H33N3O4/c1-8-23(12-19(24)21-14(2)3)13-20(25)22(5)11-16-10-18(27-7)17(26-6)9-15(16)4/h9-10,14H,8,11-13H2,1-7H3,(H,21,24)/p+1
• InChIKey: ILWXSJZUQZSNSO-UHFFFAOYSA-O
• XLogP: 0.40
• TPSA: 72.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.51
LogP ≤ 5	0.40
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]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The IUPAC name of [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8792924) is [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

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

The canonical SMILES for [2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC[NH+](CC(=O)NC(C)C)CC(=O)N(C)Cc1cc(OC)c(OC)cc1C.

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

The InChIKey is ILWXSJZUQZSNSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H33N3O4/c1-8-23(12-19(24)21-14(2)3)13-20(25)22(5)11-16-10-18(27-7)17(26-6)9-15(16)4/h9-10,14H,8,11-13H2,1-7H3,(H,21,24)/p+1.

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

[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 380.51 g/mol, XLogP of 0.40, 10 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]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8792924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).