1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C22H33N3O — CID 130202862

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C22H33N3O/c1-23(2)22(19-10-5-4-6-11-19)14-12-21(13-15-22)17-24(3)20(26)25(21)16-18-8-7-9-18/h4-6,10-11,18H,7-9,12-17H2,1-3H3
InChIKeyZXLHVRFMGYIOKE-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.92
Rot. Bonds4

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202862) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202862
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C22H33N3O/c1-23(2)22(19-10-5-4-6-11-19)14-12-21(13-15-22)17-24(3)20(26)25(21)16-18-8-7-9-18/h4-6,10-11,18H,7-9,12-17H2,1-3H3
InChIKeyZXLHVRFMGYIOKE-UHFFFAOYSA-N
XLogP3.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202862) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZXLHVRFMGYIOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-23(2)22(19-10-5-4-6-11-19)14-12-21(13-15-22)17-24(3)20(26)25(21)16-18-8-7-9-18/h4-6,10-11,18H,7-9,12-17H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 355.53 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-methyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).