3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H37N3O — CID 156757577

IUPAC3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CCC1CCC1)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C28H37N3O/c1-30(20-15-23-11-8-12-23)28(25-13-6-3-7-14-25)18-16-27(17-19-28)22-31(26(32)29-27)21-24-9-4-2-5-10-24/h2-7,9-10,13-14,23H,8,11-12,15-22H2,1H3,(H,29,32)
InChIKeySAAQFPGTPYWSGP-UHFFFAOYSA-N
MW431.62 g/mol
LogP5.54
Rot. Bonds7

About 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 156757577) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID156757577
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CCC1CCC1)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C28H37N3O/c1-30(20-15-23-11-8-12-23)28(25-13-6-3-7-14-25)18-16-27(17-19-28)22-31(26(32)29-27)21-24-9-4-2-5-10-24/h2-7,9-10,13-14,23H,8,11-12,15-22H2,1H3,(H,29,32)
InChIKeySAAQFPGTPYWSGP-UHFFFAOYSA-N
XLogP5.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(dimethylamino)-3-ethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130246925
3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202549
2-[[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanoic acid
CID 130200978
8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130200930
3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one
CID 83894911
2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118662299
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 162216107
1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-[methyl(prop-2-enyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202613
8-(dimethylamino)-3-[(3-methyl-6-piperazin-1-ylcyclohepta-1,6-dien-4-yn-1-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130249034
3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
CID 155655261
3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201023
8-(methylamino)-8-phenyl-3-(2H-triazol-4-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130202601

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 156757577) is 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(CCC1CCC1)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2.
What is the InChIKey of 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SAAQFPGTPYWSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-30(20-15-23-11-8-12-23)28(25-13-6-3-7-14-25)18-16-27(17-19-28)22-31(26(32)29-27)21-24-9-4-2-5-10-24/h2-7,9-10,13-14,23H,8,11-12,15-22H2,1H3,(H,29,32).
What are the key properties of 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 431.62 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 156757577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).