2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide

C21H37N3O2 — CID 3337711

About 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide

2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide (PubChem CID 3337711) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
• PubChem CID: 3337711
• Molecular Formula: C21H37N3O2
• Molecular Weight: 363.55 g/mol
• Exact Mass: 363.29
• IUPAC Name: 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
• SMILES: CC(C)CN(Cc1cccn1C)C(=O)CN(CC(C)C)C(=O)C(C)(C)C
• InChI: InChI=1S/C21H37N3O2/c1-16(2)12-23(14-18-10-9-11-22(18)8)19(25)15-24(13-17(3)4)20(26)21(5,6)7/h9-11,16-17H,12-15H2,1-8H3
• InChIKey: HTJRPGWMIJYPEG-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.55
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide (CID 3337711) is 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide is CC(C)CN(Cc1cccn1C)C(=O)CN(CC(C)C)C(=O)C(C)(C)C.

What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide?

The InChIKey is HTJRPGWMIJYPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-16(2)12-23(14-18-10-9-11-22(18)8)19(25)15-24(13-17(3)4)20(26)21(5,6)7/h9-11,16-17H,12-15H2,1-8H3.

What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide?

2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide has a molecular weight of 363.55 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 3337711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).