N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide

C28H35N3O5 — CID 3940325

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide (PubChem CID 3940325) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide
• PubChem CID: 3940325
• Molecular Formula: C28H35N3O5
• Molecular Weight: 493.60 g/mol
• Exact Mass: 493.26
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide
• SMILES: CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C28H35N3O5/c1-5-16-31(28(33)29-23-9-7-6-8-10-23)20-27(32)30(19-24-13-11-21(2)36-24)17-15-22-12-14-25(34-3)26(18-22)35-4/h6-14,18H,5,15-17,19-20H2,1-4H3,(H,29,33)
• InChIKey: FLTPDSYSGOQVKQ-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.60
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide (CID 3940325) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide is CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Nc1ccccc1.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide?

The InChIKey is FLTPDSYSGOQVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-5-16-31(28(33)29-23-9-7-6-8-10-23)20-27(32)30(19-24-13-11-21(2)36-24)17-15-22-12-14-25(34-3)26(18-22)35-4/h6-14,18H,5,15-17,19-20H2,1-4H3,(H,29,33).

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide has a molecular weight of 493.60 g/mol, XLogP of 5.12, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide is sourced from PubChem (CID 3940325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).