2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H36N4O5 — CID 4020019

About 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4020019) has the molecular formula C24H36N4O5 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 4020019
• Molecular Formula: C24H36N4O5
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.27
• IUPAC Name: 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CCC(C)N(CC(=O)N(CCOC)Cc1cccn1C)C(=O)Nc1ccc(OC)cc1OC
• InChI: InChI=1S/C24H36N4O5/c1-7-18(2)28(24(30)25-21-11-10-20(32-5)15-22(21)33-6)17-23(29)27(13-14-31-4)16-19-9-8-12-26(19)3/h8-12,15,18H,7,13-14,16-17H2,1-6H3,(H,25,30)
• InChIKey: IBWZGGGDIKBZFK-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 85.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4020019) is 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCC(C)N(CC(=O)N(CCOC)Cc1cccn1C)C(=O)Nc1ccc(OC)cc1OC.

What is the InChIKey of 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is IBWZGGGDIKBZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O5/c1-7-18(2)28(24(30)25-21-11-10-20(32-5)15-22(21)33-6)17-23(29)27(13-14-31-4)16-19-9-8-12-26(19)3/h8-12,15,18H,7,13-14,16-17H2,1-6H3,(H,25,30).

What are the key properties of 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 460.58 g/mol, XLogP of 3.35, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4020019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).