N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide

C18H32N2O2 — CID 134274262

IUPACN-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide
SMILESCC(C)(CO)CN1CC2C(CNC(=O)C3CCCCC3)C2C1
InChIInChI=1S/C18H32N2O2/c1-18(2,12-21)11-20-9-15-14(16(15)10-20)8-19-17(22)13-6-4-3-5-7-13/h13-16,21H,3-12H2,1-2H3,(H,19,22)
InChIKeyMHGNGNBTQDNPLU-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.88
Rot. Bonds6

About N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide

N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide (PubChem CID 134274262) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide
PubChem CID134274262
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide
SMILESCC(C)(CO)CN1CC2C(CNC(=O)C3CCCCC3)C2C1
InChIInChI=1S/C18H32N2O2/c1-18(2,12-21)11-20-9-15-14(16(15)10-20)8-19-17(22)13-6-4-3-5-7-13/h13-16,21H,3-12H2,1-2H3,(H,19,22)
InChIKeyMHGNGNBTQDNPLU-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide (CID 134274262) is N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide is CC(C)(CO)CN1CC2C(CNC(=O)C3CCCCC3)C2C1.
What is the InChIKey of N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide?
The InChIKey is MHGNGNBTQDNPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-18(2,12-21)11-20-9-15-14(16(15)10-20)8-19-17(22)13-6-4-3-5-7-13/h13-16,21H,3-12H2,1-2H3,(H,19,22).
What are the key properties of N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide?
N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide has a molecular weight of 308.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 134274262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).