N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide

C₁₄H₂₁NO₅ — CID 11832915

About N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide

N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 11832915) has the molecular formula C₁₄H₂₁NO₅ and a molecular weight of 283.32 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
• PubChem CID: 11832915
• Molecular Formula: C₁₄H₂₁NO₅
• Molecular Weight: 283.32 g/mol
• Exact Mass: 283.14
• IUPAC Name: N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
• SMILES: COc1cc(CCC(=O)N(C)OC)cc(OC)c1OC
• InChI: InChI=1S/C14H21NO5/c1-15(20-5)13(16)7-6-10-8-11(17-2)14(19-4)12(9-10)18-3/h8-9H,6-7H2,1-5H3
• InChIKey: OWXPQISSSLCRCD-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.32
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?

The IUPAC name of N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide (CID 11832915) is N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide.

What is the SMILES notation for N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?

The canonical SMILES for N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)N(C)OC)cc(OC)c1OC.

What is the InChIKey of N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?

The InChIKey is OWXPQISSSLCRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-15(20-5)13(16)7-6-10-8-11(17-2)14(19-4)12(9-10)18-3/h8-9H,6-7H2,1-5H3.

What are the key properties of N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?

N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 283.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 11832915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11832915 — identifiers, structure, computed properties (public domain)

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