1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea

C32H38N4O2 — CID 27060599

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea (PubChem CID 27060599) has the molecular formula C32H38N4O2 and a molecular weight of 510.68 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea
• PubChem CID: 27060599
• Molecular Formula: C32H38N4O2
• Molecular Weight: 510.68 g/mol
• Exact Mass: 510.30
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea
• SMILES: CC(C)(NC(=O)Nc1ccc2c(c1)CCC2)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)CCC3)c1
• InChI: InChI=1S/C32H38N4O2/c1-31(2,35-29(37)33-27-16-14-21-8-5-10-23(21)18-27)25-12-7-13-26(20-25)32(3,4)36-30(38)34-28-17-15-22-9-6-11-24(22)19-28/h7,12-20H,5-6,8-11H2,1-4H3,(H2,33,35,37)(H2,34,36,38)
• InChIKey: XJGQMUXQSBMWJD-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 82.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.68
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea (CID 27060599) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea is CC(C)(NC(=O)Nc1ccc2c(c1)CCC2)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)CCC3)c1.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea?

The InChIKey is XJGQMUXQSBMWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O2/c1-31(2,35-29(37)33-27-16-14-21-8-5-10-23(21)18-27)25-12-7-13-26(20-25)32(3,4)36-30(38)34-28-17-15-22-9-6-11-24(22)19-28/h7,12-20H,5-6,8-11H2,1-4H3,(H2,33,35,37)(H2,34,36,38).

What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea?

1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea has a molecular weight of 510.68 g/mol, XLogP of 6.78, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea is sourced from PubChem (CID 27060599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).