N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane

C23H41F2N3O4 — CID 167482302

IUPACN-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane
SMILESCC.CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)N3CC4(CCC4(F)F)C3)CC21.O=CO
InChIInChI=1S/C16H23F2N3O2.C4H10.C2H6.CH2O2/c1-14(2)10-6-20(7-11(10)14)12(22)5-19-13(23)21-8-15(9-21)3-4-16(15,17)18;1-4(2)3;1-2;2-1-3/h10-11H,3-9H2,1-2H3,(H,19,23);4H,1-3H3;1-2H3;1H,(H,2,3)
InChIKeyLNQZRYYSCDQHFU-UHFFFAOYSA-N
MW461.59 g/mol
LogP3.93
Rot. Bonds2

About N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane

N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane (PubChem CID 167482302) has the molecular formula C23H41F2N3O4 and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane.

Molecular Properties

Compound NameN-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane
PubChem CID167482302
Molecular FormulaC23H41F2N3O4
Molecular Weight461.59 g/mol
Exact Mass461.31
IUPAC NameN-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane
SMILESCC.CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)N3CC4(CCC4(F)F)C3)CC21.O=CO
InChIInChI=1S/C16H23F2N3O2.C4H10.C2H6.CH2O2/c1-14(2)10-6-20(7-11(10)14)12(22)5-19-13(23)21-8-15(9-21)3-4-16(15,17)18;1-4(2)3;1-2;2-1-3/h10-11H,3-9H2,1-2H3,(H,19,23);4H,1-3H3;1-2H3;1H,(H,2,3)
InChIKeyLNQZRYYSCDQHFU-UHFFFAOYSA-N
XLogP3.93
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane?
The IUPAC name of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane (CID 167482302) is N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane.
What is the SMILES notation for N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane?
The canonical SMILES for N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane is CC.CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)N3CC4(CCC4(F)F)C3)CC21.O=CO.
What is the InChIKey of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane?
The InChIKey is LNQZRYYSCDQHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2.C4H10.C2H6.CH2O2/c1-14(2)10-6-20(7-11(10)14)12(22)5-19-13(23)21-8-15(9-21)3-4-16(15,17)18;1-4(2)3;1-2;2-1-3/h10-11H,3-9H2,1-2H3,(H,19,23);4H,1-3H3;1-2H3;1H,(H,2,3).
What are the key properties of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane?
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane has a molecular weight of 461.59 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-7,7-difluoro-2-azaspiro[3.3]heptane-2-carboxamide;ethane;formic acid;2-methylpropane is sourced from PubChem (CID 167482302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).