N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide

C26H29FN2O6 — CID 4199823

About N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide (PubChem CID 4199823) has the molecular formula C26H29FN2O6 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
• PubChem CID: 4199823
• Molecular Formula: C26H29FN2O6
• Molecular Weight: 484.52 g/mol
• Exact Mass: 484.20
• IUPAC Name: N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
• SMILES: COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C26H29FN2O6/c1-32-12-10-28(26(31)20-13-23(33-2)15-24(14-20)34-3)18-25(30)29(17-22-5-4-11-35-22)16-19-6-8-21(27)9-7-19/h4-9,11,13-15H,10,12,16-18H2,1-3H3
• InChIKey: OZVSQTCSQGTSOW-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 81.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.52
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide?

The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide (CID 4199823) is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide.

What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide?

The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)c1cc(OC)cc(OC)c1.

What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide?

The InChIKey is OZVSQTCSQGTSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O6/c1-32-12-10-28(26(31)20-13-23(33-2)15-24(14-20)34-3)18-25(30)29(17-22-5-4-11-35-22)16-19-6-8-21(27)9-7-19/h4-9,11,13-15H,10,12,16-18H2,1-3H3.

What are the key properties of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide?

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 484.52 g/mol, XLogP of 3.75, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 4199823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).