1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea

C23H26N4O3 — CID 166428381

About 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea

1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 166428381) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea
• PubChem CID: 166428381
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea
• SMILES: Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCC1c2ccccc2C(=O)N1C
• InChI: InChI=1S/C23H26N4O3/c1-15-8-7-11-18(22(29)27-12-5-6-13-27)20(15)25-23(30)24-14-19-16-9-3-4-10-17(16)21(28)26(19)2/h3-4,7-11,19H,5-6,12-14H2,1-2H3,(H2,24,25,30)
• InChIKey: FCCUUOOQLQNXQM-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?

The IUPAC name of 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea (CID 166428381) is 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea.

What is the SMILES notation for 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?

The canonical SMILES for 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea is Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCC1c2ccccc2C(=O)N1C.

What is the InChIKey of 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?

The InChIKey is FCCUUOOQLQNXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-8-7-11-18(22(29)27-12-5-6-13-27)20(15)25-23(30)24-14-19-16-9-3-4-10-17(16)21(28)26(19)2/h3-4,7-11,19H,5-6,12-14H2,1-2H3,(H2,24,25,30).

What are the key properties of 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?

1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 406.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 166428381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).