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

C24H34N4O2 — CID 7256763

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

2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 7256763) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 7256763
• Molecular Formula: C24H34N4O2
• Molecular Weight: 410.56 g/mol
• Exact Mass: 410.27
• IUPAC Name: 2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CCc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)[C@@H](C)CC
• InChI: InChI=1S/C24H34N4O2/c1-5-18(3)27(24(30)25-22-12-8-7-10-19(22)6-2)17-23(29)28(20-13-14-20)16-21-11-9-15-26(21)4/h7-12,15,18,20H,5-6,13-14,16-17H2,1-4H3,(H,25,30)/t18-/m0/s1
• InChIKey: QXZJJAYEFIIOHB-SFHVURJKSA-N
• XLogP: 4.41
• 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	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 7256763) is 2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCc1ccccc1NC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)[C@@H](C)CC.

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

The InChIKey is QXZJJAYEFIIOHB-SFHVURJKSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-5-18(3)27(24(30)25-22-12-8-7-10-19(22)6-2)17-23(29)28(20-13-14-20)16-21-11-9-15-26(21)4/h7-12,15,18,20H,5-6,13-14,16-17H2,1-4H3,(H,25,30)/t18-/m0/s1.

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

2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S)-butan-2-yl]-[(2-ethylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 7256763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).