1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea

C30H41N5O3 — CID 66616015

About 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea

1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea (PubChem CID 66616015) has the molecular formula C30H41N5O3 and a molecular weight of 519.69 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea.

Molecular Properties

• Compound Name: 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea
• PubChem CID: 66616015
• Molecular Formula: C30H41N5O3
• Molecular Weight: 519.69 g/mol
• Exact Mass: 519.32
• IUPAC Name: 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea
• SMILES: CC(C)(N)CNC(=O)NC(CCc1ccccc1)C(=O)N1CCC(N2C(=O)C(C)(C)c3ccccc32)CC1
• InChI: InChI=1S/C30H41N5O3/c1-29(2,31)20-32-28(38)33-24(15-14-21-10-6-5-7-11-21)26(36)34-18-16-22(17-19-34)35-25-13-9-8-12-23(25)30(3,4)27(35)37/h5-13,22,24H,14-20,31H2,1-4H3,(H2,32,33,38)
• InChIKey: BIRKVPJXLVEMCG-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 107.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.69
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea?

The IUPAC name of 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea (CID 66616015) is 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea.

What is the SMILES notation for 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea?

The canonical SMILES for 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea is CC(C)(N)CNC(=O)NC(CCc1ccccc1)C(=O)N1CCC(N2C(=O)C(C)(C)c3ccccc32)CC1.

What is the InChIKey of 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea?

The InChIKey is BIRKVPJXLVEMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O3/c1-29(2,31)20-32-28(38)33-24(15-14-21-10-6-5-7-11-21)26(36)34-18-16-22(17-19-34)35-25-13-9-8-12-23(25)30(3,4)27(35)37/h5-13,22,24H,14-20,31H2,1-4H3,(H2,32,33,38).

What are the key properties of 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea?

1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea has a molecular weight of 519.69 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-2-methylpropyl)-3-[1-[4-(3,3-dimethyl-2-oxoindol-1-yl)piperidin-1-yl]-1-oxo-4-phenylbutan-2-yl]urea is sourced from PubChem (CID 66616015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).