2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

C30H39N3O6 — CID 4643814

About 2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 4643814) has the molecular formula C30H39N3O6 and a molecular weight of 537.66 g/mol. Its IUPAC name is 2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
• PubChem CID: 4643814
• Molecular Formula: C30H39N3O6
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.28
• IUPAC Name: 2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
• SMILES: CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Nc1ccc(OC)cc1
• InChI: InChI=1S/C30H39N3O6/c1-6-7-17-33(30(35)31-24-10-13-25(36-3)14-11-24)21-29(34)32(20-26-12-8-22(2)39-26)18-16-23-9-15-27(37-4)28(19-23)38-5/h8-15,19H,6-7,16-18,20-21H2,1-5H3,(H,31,35)
• InChIKey: QGIQQSJFALIXQK-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 93.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 4643814) is 2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide is CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Nc1ccc(OC)cc1.

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

The InChIKey is QGIQQSJFALIXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O6/c1-6-7-17-33(30(35)31-24-10-13-25(36-3)14-11-24)21-29(34)32(20-26-12-8-22(2)39-26)18-16-23-9-15-27(37-4)28(19-23)38-5/h8-15,19H,6-7,16-18,20-21H2,1-5H3,(H,31,35).

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

2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 537.66 g/mol, XLogP of 5.52, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 4643814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).