N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide

C25H35N3O2 — CID 4579670

About N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide

N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide (PubChem CID 4579670) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide
• PubChem CID: 4579670
• Molecular Formula: C25H35N3O2
• Molecular Weight: 409.57 g/mol
• Exact Mass: 409.27
• IUPAC Name: N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide
• SMILES: CCC(C(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C(C)CC)c1ccccc1
• InChI: InChI=1S/C25H35N3O2/c1-5-19(3)27(25(30)23(6-2)20-11-8-7-9-12-20)18-24(29)28(21-14-15-21)17-22-13-10-16-26(22)4/h7-13,16,19,21,23H,5-6,14-15,17-18H2,1-4H3
• InChIKey: AAAHUSAYXASBNE-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.57
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide (CID 4579670) is N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide.

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

The canonical SMILES for N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide is CCC(C(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C(C)CC)c1ccccc1.

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

The InChIKey is AAAHUSAYXASBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-5-19(3)27(25(30)23(6-2)20-11-8-7-9-12-20)18-24(29)28(21-14-15-21)17-22-13-10-16-26(22)4/h7-13,16,19,21,23H,5-6,14-15,17-18H2,1-4H3.

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

N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide has a molecular weight of 409.57 g/mol, XLogP of 4.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylbutanamide is sourced from PubChem (CID 4579670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).