3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea

C24H36Cl2N4O — CID 156704357

About 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea

3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea (PubChem CID 156704357) has the molecular formula C24H36Cl2N4O and a molecular weight of 467.49 g/mol. Its IUPAC name is 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea.

Molecular Properties

• Compound Name: 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea
• PubChem CID: 156704357
• Molecular Formula: C24H36Cl2N4O
• Molecular Weight: 467.49 g/mol
• Exact Mass: 466.23
• IUPAC Name: 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea
• SMILES: CN(C)C(=O)NC1CCC(CCN2CCCN(c3cccc(Cl)c3Cl)C3(CC3)C2)CC1
• InChI: InChI=1S/C24H36Cl2N4O/c1-28(2)23(31)27-19-9-7-18(8-10-19)11-16-29-14-4-15-30(24(17-29)12-13-24)21-6-3-5-20(25)22(21)26/h3,5-6,18-19H,4,7-17H2,1-2H3,(H,27,31)
• InChIKey: YMKLMMRCVUMHHH-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.49
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea?

The IUPAC name of 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea (CID 156704357) is 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea.

What is the SMILES notation for 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea?

The canonical SMILES for 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea is CN(C)C(=O)NC1CCC(CCN2CCCN(c3cccc(Cl)c3Cl)C3(CC3)C2)CC1.

What is the InChIKey of 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea?

The InChIKey is YMKLMMRCVUMHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36Cl2N4O/c1-28(2)23(31)27-19-9-7-18(8-10-19)11-16-29-14-4-15-30(24(17-29)12-13-24)21-6-3-5-20(25)22(21)26/h3,5-6,18-19H,4,7-17H2,1-2H3,(H,27,31).

What are the key properties of 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea?

3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea has a molecular weight of 467.49 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea is sourced from PubChem (CID 156704357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).