2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C25H32N4O3 — CID 4224231

About 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4224231) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 4224231
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CCC(C)N(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Nc1cccc(C)c1
• InChI: InChI=1S/C25H32N4O3/c1-5-20(3)29(25(31)26-21-10-6-9-19(2)15-21)18-24(30)28(17-23-12-8-14-32-23)16-22-11-7-13-27(22)4/h6-15,20H,5,16-18H2,1-4H3,(H,26,31)
• InChIKey: NLVZBXFKAKJTSJ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 70.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4224231) is 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCC(C)N(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Nc1cccc(C)c1.

What is the InChIKey of 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is NLVZBXFKAKJTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-5-20(3)29(25(31)26-21-10-6-9-19(2)15-21)18-24(30)28(17-23-12-8-14-32-23)16-22-11-7-13-27(22)4/h6-15,20H,5,16-18H2,1-4H3,(H,26,31).

What are the key properties of 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4224231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).