2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C26H34N4O4 — CID 4021391

About 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4021391) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 4021391
• Molecular Formula: C26H34N4O4
• Molecular Weight: 466.58 g/mol
• Exact Mass: 466.26
• IUPAC Name: 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CCOc1ccc(NC(=O)N(CC(=O)N(Cc2ccco2)Cc2cccn2C)C(C)CC)cc1
• InChI: InChI=1S/C26H34N4O4/c1-5-20(3)30(26(32)27-21-11-13-23(14-12-21)33-6-2)19-25(31)29(18-24-10-8-16-34-24)17-22-9-7-15-28(22)4/h7-16,20H,5-6,17-19H2,1-4H3,(H,27,32)
• InChIKey: PDPNMBHPVMECFE-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 79.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4021391) is 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCOc1ccc(NC(=O)N(CC(=O)N(Cc2ccco2)Cc2cccn2C)C(C)CC)cc1.

What is the InChIKey of 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is PDPNMBHPVMECFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-5-20(3)30(26(32)27-21-11-13-23(14-12-21)33-6-2)19-25(31)29(18-24-10-8-16-34-24)17-22-9-7-15-28(22)4/h7-16,20H,5-6,17-19H2,1-4H3,(H,27,32).

What are the key properties of 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 466.58 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4021391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).