2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H34N4O3 — CID 7482382

About 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 7482382) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 7482382
• Molecular Formula: C24H34N4O3
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.26
• IUPAC Name: 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CCOc1ccc(NC(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)[C@@H](C)CC)cc1
• InChI: InChI=1S/C24H34N4O3/c1-5-18(3)27(24(30)25-19-9-13-22(14-10-19)31-6-2)17-23(29)28(20-11-12-20)16-21-8-7-15-26(21)4/h7-10,13-15,18,20H,5-6,11-12,16-17H2,1-4H3,(H,25,30)/t18-/m0/s1
• InChIKey: IXDGPOIRNCELNN-SFHVURJKSA-N
• XLogP: 4.25
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 7482382) is 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCOc1ccc(NC(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)[C@@H](C)CC)cc1.

What is the InChIKey of 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is IXDGPOIRNCELNN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-5-18(3)27(24(30)25-19-9-13-22(14-10-19)31-6-2)17-23(29)28(20-11-12-20)16-21-8-7-15-26(21)4/h7-10,13-15,18,20H,5-6,11-12,16-17H2,1-4H3,(H,25,30)/t18-/m0/s1.

What are the key properties of 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 426.56 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 7482382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).