3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

C26H42N4O3 — CID 155431778

About 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (PubChem CID 155431778) has the molecular formula C26H42N4O3 and a molecular weight of 458.65 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
• PubChem CID: 155431778
• Molecular Formula: C26H42N4O3
• Molecular Weight: 458.65 g/mol
• Exact Mass: 458.33
• IUPAC Name: 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(O)N2CC1(O)CCC1
• InChI: InChI=1S/C26H42N4O3/c1-23(2,21(27)31)17-29-18-24(30(22(29)32)19-25(33)11-8-12-25)13-15-26(16-14-24,28(3)4)20-9-6-5-7-10-20/h5-7,9-10,22,32-33H,8,11-19H2,1-4H3,(H2,27,31)
• InChIKey: XSKXDRJHBCYVCM-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 93.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.65
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?

The IUPAC name of 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (CID 155431778) is 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?

The canonical SMILES for 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(O)N2CC1(O)CCC1.

What is the InChIKey of 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?

The InChIKey is XSKXDRJHBCYVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O3/c1-23(2,21(27)31)17-29-18-24(30(22(29)32)19-25(33)11-8-12-25)13-15-26(16-14-24,28(3)4)20-9-6-5-7-10-20/h5-7,9-10,22,32-33H,8,11-19H2,1-4H3,(H2,27,31).

What are the key properties of 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?

3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 458.65 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-(dimethylamino)-2-hydroxy-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155431778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).