8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C34H42Cl2N4O — CID 25190592

About 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 25190592) has the molecular formula C34H42Cl2N4O and a molecular weight of 593.64 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• PubChem CID: 25190592
• Molecular Formula: C34H42Cl2N4O
• Molecular Weight: 593.64 g/mol
• Exact Mass: 592.27
• IUPAC Name: 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• SMILES: CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C
• InChI: InChI=1S/C34H42Cl2N4O/c1-25(2)39(26(3)4)23-22-38-24-40(27-12-6-5-7-13-27)34(33(38)41)18-20-37(21-19-34)32(28-14-8-10-16-30(28)35)29-15-9-11-17-31(29)36/h5-17,25-26,32H,18-24H2,1-4H3
• InChIKey: DWDYTNBJCKOHTA-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 30.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.64
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 25190592) is 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C.

What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The InChIKey is DWDYTNBJCKOHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42Cl2N4O/c1-25(2)39(26(3)4)23-22-38-24-40(27-12-6-5-7-13-27)34(33(38)41)18-20-37(21-19-34)32(28-14-8-10-16-30(28)35)29-15-9-11-17-31(29)36/h5-17,25-26,32H,18-24H2,1-4H3.

What are the key properties of 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 593.64 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[bis(2-chlorophenyl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 25190592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).