2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H34N4O2 — CID 4214323

About 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4214323) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 4214323
• Molecular Formula: C24H34N4O2
• Molecular Weight: 410.56 g/mol
• Exact Mass: 410.27
• IUPAC Name: 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: C=CCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C24H34N4O2/c1-7-13-27(24(30)25-23-19(4)10-8-11-20(23)5)17-22(29)28(15-18(2)3)16-21-12-9-14-26(21)6/h7-12,14,18H,1,13,15-17H2,2-6H3,(H,25,30)
• InChIKey: OLBBZKDDQWUMCC-UHFFFAOYSA-N
• XLogP: 4.35
• 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	410.56
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4214323) is 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is C=CCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)Nc1c(C)cccc1C.

What is the InChIKey of 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is OLBBZKDDQWUMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-7-13-27(24(30)25-23-19(4)10-8-11-20(23)5)17-22(29)28(15-18(2)3)16-21-12-9-14-26(21)6/h7-12,14,18H,1,13,15-17H2,2-6H3,(H,25,30).

What are the key properties of 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4214323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).