2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C19H34N4O2 — CID 3374435

About 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3374435) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 3374435
• Molecular Formula: C19H34N4O2
• Molecular Weight: 350.51 g/mol
• Exact Mass: 350.27
• IUPAC Name: 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CCC(C)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)N(C)C
• InChI: InChI=1S/C19H34N4O2/c1-8-16(4)23(19(25)20(5)6)14-18(24)22(12-15(2)3)13-17-10-9-11-21(17)7/h9-11,15-16H,8,12-14H2,1-7H3
• InChIKey: RSEVLTXQQGFMGZ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 48.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.51
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3374435) is 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCC(C)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)N(C)C.

What is the InChIKey of 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is RSEVLTXQQGFMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-8-16(4)23(19(25)20(5)6)14-18(24)22(12-15(2)3)13-17-10-9-11-21(17)7/h9-11,15-16H,8,12-14H2,1-7H3.

What are the key properties of 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butan-2-yl(dimethylcarbamoyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3374435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).