2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide

C30H41N3O4S — CID 72618105

About 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide

2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide (PubChem CID 72618105) has the molecular formula C30H41N3O4S and a molecular weight of 539.74 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide
• PubChem CID: 72618105
• Molecular Formula: C30H41N3O4S
• Molecular Weight: 539.74 g/mol
• Exact Mass: 539.28
• IUPAC Name: 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide
• SMILES: CC(C)(C)C(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1
• InChI: InChI=1S/C30H41N3O4S/c1-29(2,3)27(34)31-26(24-8-6-5-7-9-24)14-18-32-19-15-30(16-20-32)17-21-33(28(30)35)22-23-10-12-25(13-11-23)38(4,36)37/h5-13,26H,14-22H2,1-4H3,(H,31,34)
• InChIKey: VVDLBPBWUKYIDI-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.74
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide (CID 72618105) is 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide is CC(C)(C)C(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1.

What is the InChIKey of 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide?

The InChIKey is VVDLBPBWUKYIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O4S/c1-29(2,3)27(34)31-26(24-8-6-5-7-9-24)14-18-32-19-15-30(16-20-32)17-21-33(28(30)35)22-23-10-12-25(13-11-23)38(4,36)37/h5-13,26H,14-22H2,1-4H3,(H,31,34).

What are the key properties of 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide?

2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide has a molecular weight of 539.74 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide is sourced from PubChem (CID 72618105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).