methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile

C30H34N4O — CID 161050495

IUPACmethane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
SMILESC.N#CC(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N4O.CH4/c30-22-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)16-19-32-20-17-29(18-21-32)27(34)31-23-33(29)26-14-8-3-9-15-26;/h1-15H,16-21,23H2,(H,31,34);1H4
InChIKeyUCBOSFGDTNGFSZ-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.95
Rot. Bonds6

About methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile

methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile (PubChem CID 161050495) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile.

Molecular Properties

Compound Namemethane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
PubChem CID161050495
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Namemethane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
SMILESC.N#CC(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N4O.CH4/c30-22-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)16-19-32-20-17-29(18-21-32)27(34)31-23-33(29)26-14-8-3-9-15-26;/h1-15H,16-21,23H2,(H,31,34);1H4
InChIKeyUCBOSFGDTNGFSZ-UHFFFAOYSA-N
XLogP4.95
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile?
The IUPAC name of methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile (CID 161050495) is methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile.
What is the SMILES notation for methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile?
The canonical SMILES for methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile is C.N#CC(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile?
The InChIKey is UCBOSFGDTNGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O.CH4/c30-22-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)16-19-32-20-17-29(18-21-32)27(34)31-23-33(29)26-14-8-3-9-15-26;/h1-15H,16-21,23H2,(H,31,34);1H4.
What are the key properties of methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile?
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile has a molecular weight of 466.63 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile is sourced from PubChem (CID 161050495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).