2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H36N4O2 — CID 3562437

About 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3562437) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 3562437
• Molecular Formula: C24H36N4O2
• Molecular Weight: 412.58 g/mol
• Exact Mass: 412.28
• IUPAC Name: 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CCCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)Nc1ccc(C)c(C)c1
• InChI: InChI=1S/C24H36N4O2/c1-7-12-27(24(30)25-21-11-10-19(4)20(5)14-21)17-23(29)28(15-18(2)3)16-22-9-8-13-26(22)6/h8-11,13-14,18H,7,12,15-17H2,1-6H3,(H,25,30)
• InChIKey: GMTOGFXIPOQBET-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.58
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3562437) is 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)Nc1ccc(C)c(C)c1.

What is the InChIKey of 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is GMTOGFXIPOQBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-7-12-27(24(30)25-21-11-10-19(4)20(5)14-21)17-23(29)28(15-18(2)3)16-22-9-8-13-26(22)6/h8-11,13-14,18H,7,12,15-17H2,1-6H3,(H,25,30).

What are the key properties of 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 412.58 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,4-dimethylphenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3562437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).