2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide

C27H42N4O3 — CID 130200923

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(C)(C)O)C(=O)N2CC1CCC1
InChIInChI=1S/C27H42N4O3/c1-25(2,34)19-28-23(32)18-30-20-26(31(24(30)33)17-21-9-8-10-21)13-15-27(16-14-26,29(3)4)22-11-6-5-7-12-22/h5-7,11-12,21,34H,8-10,13-20H2,1-4H3,(H,28,32)
InChIKeyWAXFWDQXZRNMCL-UHFFFAOYSA-N
MW470.66 g/mol
LogP3.18
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 130200923) has the molecular formula C27H42N4O3 and a molecular weight of 470.66 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID130200923
Molecular FormulaC27H42N4O3
Molecular Weight470.66 g/mol
Exact Mass470.33
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(C)(C)O)C(=O)N2CC1CCC1
InChIInChI=1S/C27H42N4O3/c1-25(2,34)19-28-23(32)18-30-20-26(31(24(30)33)17-21-9-8-10-21)13-15-27(16-14-26,29(3)4)22-11-6-5-7-12-22/h5-7,11-12,21,34H,8-10,13-20H2,1-4H3,(H,28,32)
InChIKeyWAXFWDQXZRNMCL-UHFFFAOYSA-N
XLogP3.18
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide (CID 130200923) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(C)(C)O)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is WAXFWDQXZRNMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O3/c1-25(2,34)19-28-23(32)18-30-20-26(31(24(30)33)17-21-9-8-10-21)13-15-27(16-14-26,29(3)4)22-11-6-5-7-12-22/h5-7,11-12,21,34H,8-10,13-20H2,1-4H3,(H,28,32).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 470.66 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 130200923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).