2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C20H25N3O2 — CID 26303124

About 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 26303124) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
• PubChem CID: 26303124
• Molecular Formula: C20H25N3O2
• Molecular Weight: 339.44 g/mol
• Exact Mass: 339.19
• IUPAC Name: 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
• SMILES: Cc1ccc(CN(C)CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1
• InChI: InChI=1S/C20H25N3O2/c1-15-5-7-16(8-6-15)13-22(2)14-19(24)17-11-18(21-12-17)20(25)23-9-3-4-10-23/h5-8,11-12,21H,3-4,9-10,13-14H2,1-2H3
• InChIKey: HJOSKPORLBJOKN-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.44
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?

The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 26303124) is 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?

The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is Cc1ccc(CN(C)CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1.

What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?

The InChIKey is HJOSKPORLBJOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-5-7-16(8-6-15)13-22(2)14-19(24)17-11-18(21-12-17)20(25)23-9-3-4-10-23/h5-8,11-12,21H,3-4,9-10,13-14H2,1-2H3.

What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?

2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 26303124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).