N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide

C25H37N3O2 — CID 7225275

About N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide

N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 7225275) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide
• PubChem CID: 7225275
• Molecular Formula: C25H37N3O2
• Molecular Weight: 411.59 g/mol
• Exact Mass: 411.29
• IUPAC Name: N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide
• SMILES: CC[C@H](C)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)CCc1ccccc1
• InChI: InChI=1S/C25H37N3O2/c1-6-21(4)28(24(29)15-14-22-11-8-7-9-12-22)19-25(30)27(17-20(2)3)18-23-13-10-16-26(23)5/h7-13,16,20-21H,6,14-15,17-19H2,1-5H3/t21-/m0/s1
• InChIKey: QEEGEILTNGHRPA-NRFANRHFSA-N
• XLogP: 4.27
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.59
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide?

The IUPAC name of N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide (CID 7225275) is N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide.

What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide?

The canonical SMILES for N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide is CC[C@H](C)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)CCc1ccccc1.

What is the InChIKey of N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide?

The InChIKey is QEEGEILTNGHRPA-NRFANRHFSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-6-21(4)28(24(29)15-14-22-11-8-7-9-12-22)19-25(30)27(17-20(2)3)18-23-13-10-16-26(23)5/h7-13,16,20-21H,6,14-15,17-19H2,1-5H3/t21-/m0/s1.

What are the key properties of N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide?

N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 411.59 g/mol, XLogP of 4.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-butan-2-yl]-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 7225275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).