N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide

C25H37N3O4 — CID 5106811

About N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide

N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide (PubChem CID 5106811) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide
• PubChem CID: 5106811
• Molecular Formula: C25H37N3O4
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.28
• IUPAC Name: N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide
• SMILES: CCCCN(Cc1cccn1C)C(=O)CN(C(=O)c1c(OC)cccc1OC)C(C)CC
• InChI: InChI=1S/C25H37N3O4/c1-7-9-16-27(17-20-12-11-15-26(20)4)23(29)18-28(19(3)8-2)25(30)24-21(31-5)13-10-14-22(24)32-6/h10-15,19H,7-9,16-18H2,1-6H3
• InChIKey: ZUTAQNKTYRRXDL-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 64.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide?

The IUPAC name of N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide (CID 5106811) is N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide.

What is the SMILES notation for N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide?

The canonical SMILES for N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide is CCCCN(Cc1cccn1C)C(=O)CN(C(=O)c1c(OC)cccc1OC)C(C)CC.

What is the InChIKey of N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide?

The InChIKey is ZUTAQNKTYRRXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-7-9-16-27(17-20-12-11-15-26(20)4)23(29)18-28(19(3)8-2)25(30)24-21(31-5)13-10-14-22(24)32-6/h10-15,19H,7-9,16-18H2,1-6H3.

What are the key properties of N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide?

N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide has a molecular weight of 443.59 g/mol, XLogP of 4.11, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 5106811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).