N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide

C30H38N2O6 — CID 3911121

About N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide (PubChem CID 3911121) has the molecular formula C30H38N2O6 and a molecular weight of 522.64 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide
• PubChem CID: 3911121
• Molecular Formula: C30H38N2O6
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.27
• IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide
• SMILES: CCc1ccc(C(=O)N(CCCOC)CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccco2)cc1
• InChI: InChI=1S/C30H38N2O6/c1-5-23-9-12-25(13-10-23)30(34)32(16-7-18-35-2)22-29(33)31(21-26-8-6-19-38-26)17-15-24-11-14-27(36-3)28(20-24)37-4/h6,8-14,19-20H,5,7,15-18,21-22H2,1-4H3
• InChIKey: HQOHHOZMIAOHDW-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 81.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide?

The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide (CID 3911121) is N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide.

What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide?

The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide is CCc1ccc(C(=O)N(CCCOC)CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccco2)cc1.

What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide?

The InChIKey is HQOHHOZMIAOHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O6/c1-5-23-9-12-25(13-10-23)30(34)32(16-7-18-35-2)22-29(33)31(21-26-8-6-19-38-26)17-15-24-11-14-27(36-3)28(20-24)37-4/h6,8-14,19-20H,5,7,15-18,21-22H2,1-4H3.

What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide?

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide has a molecular weight of 522.64 g/mol, XLogP of 4.61, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 3911121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).