2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide

C24H34ClN3O2 — CID 4691678

About 2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide

2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide (PubChem CID 4691678) has the molecular formula C24H34ClN3O2 and a molecular weight of 432.01 g/mol. Its IUPAC name is 2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
• PubChem CID: 4691678
• Molecular Formula: C24H34ClN3O2
• Molecular Weight: 432.01 g/mol
• Exact Mass: 431.23
• IUPAC Name: 2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
• SMILES: CCC(C)N(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)CC(C)C)C(C)=O
• InChI: InChI=1S/C24H34ClN3O2/c1-6-19(4)28(20(5)29)17-24(30)27(14-18(2)3)16-22-11-9-13-26(22)15-21-10-7-8-12-23(21)25/h7-13,18-19H,6,14-17H2,1-5H3
• InChIKey: AWSNEUDJIYIJEJ-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.01
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide (CID 4691678) is 2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide.

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

The canonical SMILES for 2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide is CCC(C)N(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)CC(C)C)C(C)=O.

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

The InChIKey is AWSNEUDJIYIJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O2/c1-6-19(4)28(20(5)29)17-24(30)27(14-18(2)3)16-22-11-9-13-26(22)15-21-10-7-8-12-23(21)25/h7-13,18-19H,6,14-17H2,1-5H3.

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

2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide has a molecular weight of 432.01 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 4691678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).