8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H37N3O — CID 130202988

IUPAC8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC1(C)N(Cc2ccccc2)C(=O)N(CC2CCC2)C12CCC(N)(c1ccccc1)CC2
InChIInChI=1S/C28H37N3O/c1-26(2)28(18-16-27(29,17-19-28)24-14-7-4-8-15-24)31(21-23-12-9-13-23)25(32)30(26)20-22-10-5-3-6-11-22/h3-8,10-11,14-15,23H,9,12-13,16-21,29H2,1-2H3
InChIKeyZMXXYHXCCJZFAL-UHFFFAOYSA-N
MW431.62 g/mol
LogP5.67
Rot. Bonds5

About 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202988) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202988
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC1(C)N(Cc2ccccc2)C(=O)N(CC2CCC2)C12CCC(N)(c1ccccc1)CC2
InChIInChI=1S/C28H37N3O/c1-26(2)28(18-16-27(29,17-19-28)24-14-7-4-8-15-24)31(21-23-12-9-13-23)25(32)30(26)20-22-10-5-3-6-11-22/h3-8,10-11,14-15,23H,9,12-13,16-21,29H2,1-2H3
InChIKeyZMXXYHXCCJZFAL-UHFFFAOYSA-N
XLogP5.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202988) is 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CC1(C)N(Cc2ccccc2)C(=O)N(CC2CCC2)C12CCC(N)(c1ccccc1)CC2.
What is the InChIKey of 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZMXXYHXCCJZFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-26(2)28(18-16-27(29,17-19-28)24-14-7-4-8-15-24)31(21-23-12-9-13-23)25(32)30(26)20-22-10-5-3-6-11-22/h3-8,10-11,14-15,23H,9,12-13,16-21,29H2,1-2H3.
What are the key properties of 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 431.62 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-benzyl-1-(cyclobutylmethyl)-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).