N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide

C28H34N2O6 — CID 3675842

About N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide (PubChem CID 3675842) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
• PubChem CID: 3675842
• Molecular Formula: C28H34N2O6
• Molecular Weight: 494.59 g/mol
• Exact Mass: 494.24
• IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
• SMILES: COc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccco2)C(C)C)cc1
• InChI: InChI=1S/C28H34N2O6/c1-20(2)30(28(32)22-9-11-23(33-3)12-10-22)19-27(31)29(18-24-7-6-16-36-24)15-14-21-8-13-25(34-4)26(17-21)35-5/h6-13,16-17,20H,14-15,18-19H2,1-5H3
• InChIKey: LSYVXXACCJFGJL-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 81.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.59
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide (CID 3675842) is N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide.

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

The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccco2)C(C)C)cc1.

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

The InChIKey is LSYVXXACCJFGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-20(2)30(28(32)22-9-11-23(33-3)12-10-22)19-27(31)29(18-24-7-6-16-36-24)15-14-21-8-13-25(34-4)26(17-21)35-5/h6-13,16-17,20H,14-15,18-19H2,1-5H3.

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

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide has a molecular weight of 494.59 g/mol, XLogP of 4.43, 12 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-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 3675842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).