N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

C25H37N3O2 — CID 42767731

About N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 42767731) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 42767731
• Molecular Formula: C25H37N3O2
• Molecular Weight: 411.59 g/mol
• Exact Mass: 411.29
• IUPAC Name: N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• SMILES: CCc1ccc(C(=O)N(CC(=O)N(Cc2cccn2C)CC(C)C)C(C)CC)cc1
• InChI: InChI=1S/C25H37N3O2/c1-7-20(5)28(25(30)22-13-11-21(8-2)12-14-22)18-24(29)27(16-19(3)4)17-23-10-9-15-26(23)6/h9-15,19-20H,7-8,16-18H2,1-6H3
• InChIKey: APSHWUXINSSLKU-UHFFFAOYSA-N
• XLogP: 4.51
• 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	411.59
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 42767731) is N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is CCc1ccc(C(=O)N(CC(=O)N(Cc2cccn2C)CC(C)C)C(C)CC)cc1.

What is the InChIKey of N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The InChIKey is APSHWUXINSSLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-7-20(5)28(25(30)22-13-11-21(8-2)12-14-22)18-24(29)27(16-19(3)4)17-23-10-9-15-26(23)6/h9-15,19-20H,7-8,16-18H2,1-6H3.

What are the key properties of N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

N-butan-2-yl-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 411.59 g/mol, XLogP of 4.51, 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-4-ethyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42767731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).