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

C24H35N3O3 — CID 3966124

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

N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 3966124) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide
• PubChem CID: 3966124
• Molecular Formula: C24H35N3O3
• Molecular Weight: 413.56 g/mol
• Exact Mass: 413.27
• IUPAC Name: N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide
• SMILES: CCC(C)N(CC(=O)N(CCOC)Cc1cccn1C)C(=O)CCc1ccccc1
• InChI: InChI=1S/C24H35N3O3/c1-5-20(2)27(23(28)14-13-21-10-7-6-8-11-21)19-24(29)26(16-17-30-4)18-22-12-9-15-25(22)3/h6-12,15,20H,5,13-14,16-19H2,1-4H3
• InChIKey: AUBAATSIBIRROY-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 54.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.56
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide (CID 3966124) is N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide.

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

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

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

The InChIKey is AUBAATSIBIRROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-5-20(2)27(23(28)14-13-21-10-7-6-8-11-21)19-24(29)26(16-17-30-4)18-22-12-9-15-25(22)3/h6-12,15,20H,5,13-14,16-19H2,1-4H3.

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

N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 413.56 g/mol, XLogP of 3.26, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 3966124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).