3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

C27H39N5O2 — CID 130200844

IUPAC3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1(C#N)CCC1
InChIInChI=1S/C27H39N5O2/c1-24(2,22(29)33)18-31-20-26(32(23(31)34)19-25(17-28)11-8-12-25)13-15-27(16-14-26,30(3)4)21-9-6-5-7-10-21/h5-7,9-10H,8,11-16,18-20H2,1-4H3,(H2,29,33)
InChIKeyCJJNDFMHJQGFNW-UHFFFAOYSA-N
MW465.64 g/mol
LogP3.70
Rot. Bonds7

About 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (PubChem CID 130200844) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
PubChem CID130200844
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC Name3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1(C#N)CCC1
InChIInChI=1S/C27H39N5O2/c1-24(2,22(29)33)18-31-20-26(32(23(31)34)19-25(17-28)11-8-12-25)13-15-27(16-14-26,30(3)4)21-9-6-5-7-10-21/h5-7,9-10H,8,11-16,18-20H2,1-4H3,(H2,29,33)
InChIKeyCJJNDFMHJQGFNW-UHFFFAOYSA-N
XLogP3.70
TPSA93.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (CID 130200844) is 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1(C#N)CCC1.
What is the InChIKey of 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is CJJNDFMHJQGFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-24(2,22(29)33)18-31-20-26(32(23(31)34)19-25(17-28)11-8-12-25)13-15-27(16-14-26,30(3)4)21-9-6-5-7-10-21/h5-7,9-10H,8,11-16,18-20H2,1-4H3,(H2,29,33).
What are the key properties of 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 465.64 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130200844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).