formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide

C21H35N3O6 — CID 171321399

About formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide

formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 171321399) has the molecular formula C21H35N3O6 and a molecular weight of 425.53 g/mol. Its IUPAC name is formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
• PubChem CID: 171321399
• Molecular Formula: C21H35N3O6
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.25
• IUPAC Name: formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
• SMILES: COCCN1CCC(CN(C)CC(=O)NCc2ccccc2C)C1.O=CO.O=CO
• InChI: InChI=1S/C19H31N3O2.2CH2O2/c1-16-6-4-5-7-18(16)12-20-19(23)15-21(2)13-17-8-9-22(14-17)10-11-24-3;2*2-1-3/h4-7,17H,8-15H2,1-3H3,(H,20,23);2*1H,(H,2,3)
• InChIKey: YMJXXRIPOMAVSB-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 119.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?

The IUPAC name of formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide (CID 171321399) is formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide.

What is the SMILES notation for formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?

The canonical SMILES for formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide is COCCN1CCC(CN(C)CC(=O)NCc2ccccc2C)C1.O=CO.O=CO.

What is the InChIKey of formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?

The InChIKey is YMJXXRIPOMAVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.2CH2O2/c1-16-6-4-5-7-18(16)12-20-19(23)15-21(2)13-17-8-9-22(14-17)10-11-24-3;2*2-1-3/h4-7,17H,8-15H2,1-3H3,(H,20,23);2*1H,(H,2,3).

What are the key properties of formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?

formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 0.91, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 171321399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).