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

C24H37N3O2 — CID 130202900

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C24H37N3O2/c1-25(2)24(21-10-5-4-6-11-21)14-12-23(13-15-24)19-26(16-17-29-3)22(28)27(23)18-20-8-7-9-20/h4-6,10-11,20H,7-9,12-19H2,1-3H3
InChIKeyYBXKWXXKQFRCIJ-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.94
Rot. Bonds7

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

1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202900) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202900
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C24H37N3O2/c1-25(2)24(21-10-5-4-6-11-21)14-12-23(13-15-24)19-26(16-17-29-3)22(28)27(23)18-20-8-7-9-20/h4-6,10-11,20H,7-9,12-19H2,1-3H3
InChIKeyYBXKWXXKQFRCIJ-UHFFFAOYSA-N
XLogP3.94
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202900) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is YBXKWXXKQFRCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-25(2)24(21-10-5-4-6-11-21)14-12-23(13-15-24)19-26(16-17-29-3)22(28)27(23)18-20-8-7-9-20/h4-6,10-11,20H,7-9,12-19H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 399.58 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).