2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C23H32N4O2 — CID 3603833

About 2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3603833) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 3603833
• Molecular Formula: C23H32N4O2
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.25
• IUPAC Name: 2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: Cc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)CC(C)C)C1CC1
• InChI: InChI=1S/C23H32N4O2/c1-17(2)14-26(15-20-9-7-13-25(20)4)22(28)16-27(19-11-12-19)23(29)24-21-10-6-5-8-18(21)3/h5-10,13,17,19H,11-12,14-16H2,1-4H3,(H,24,29)
• InChIKey: DBMYQNUTMRKCEU-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3603833) is 2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)CC(C)C)C1CC1.

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

The InChIKey is DBMYQNUTMRKCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17(2)14-26(15-20-9-7-13-25(20)4)22(28)16-27(19-11-12-19)23(29)24-21-10-6-5-8-18(21)3/h5-10,13,17,19H,11-12,14-16H2,1-4H3,(H,24,29).

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

2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3603833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).