2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide

C27H34N2O4 — CID 11339903

About 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide

2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide (PubChem CID 11339903) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide
• PubChem CID: 11339903
• Molecular Formula: C27H34N2O4
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.25
• IUPAC Name: 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide
• SMILES: COc1ccc(C(=O)N(C)c2ccc(C(=O)N3CC4(C)CC3CC(C)(C)C4)cc2)c(OC)c1
• InChI: InChI=1S/C27H34N2O4/c1-26(2)14-20-15-27(3,16-26)17-29(20)24(30)18-7-9-19(10-8-18)28(4)25(31)22-12-11-21(32-5)13-23(22)33-6/h7-13,20H,14-17H2,1-6H3
• InChIKey: WNNUYDSWYFTCTJ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide?

The IUPAC name of 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide (CID 11339903) is 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide.

What is the SMILES notation for 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide?

The canonical SMILES for 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide is COc1ccc(C(=O)N(C)c2ccc(C(=O)N3CC4(C)CC3CC(C)(C)C4)cc2)c(OC)c1.

What is the InChIKey of 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide?

The InChIKey is WNNUYDSWYFTCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-26(2)14-20-15-27(3,16-26)17-29(20)24(30)18-7-9-19(10-8-18)28(4)25(31)22-12-11-21(32-5)13-23(22)33-6/h7-13,20H,14-17H2,1-6H3.

What are the key properties of 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide?

2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide has a molecular weight of 450.58 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethoxy-N-methyl-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 11339903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).