2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide

C25H36N2O2 — CID 10430882

IUPAC2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
SMILESCC(C)=CCN1CC2C(CNC(=O)C(O)(c3ccccc3)C3CCCCC3)C2C1
InChIInChI=1S/C25H36N2O2/c1-18(2)13-14-27-16-22-21(23(22)17-27)15-26-24(28)25(29,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,13,20-23,29H,4,7-8,11-12,14-17H2,1-2H3,(H,26,28)
InChIKeyZVWHKJBEUVCSNC-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.71
Rot. Bonds7

About 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide

2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide (PubChem CID 10430882) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
PubChem CID10430882
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
SMILESCC(C)=CCN1CC2C(CNC(=O)C(O)(c3ccccc3)C3CCCCC3)C2C1
InChIInChI=1S/C25H36N2O2/c1-18(2)13-14-27-16-22-21(23(22)17-27)15-26-24(28)25(29,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,13,20-23,29H,4,7-8,11-12,14-17H2,1-2H3,(H,26,28)
InChIKeyZVWHKJBEUVCSNC-UHFFFAOYSA-N
XLogP3.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313
[(1S,5R)-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 16718162
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide
CID 69309723
(2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 69309714
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11689131
N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 11179117
2-cyclopentyl-N-[[3-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 11156572
N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide
CID 69313493
2-cyclopentyl-2-hydroxy-N-[[[(1R,5S)-3-(4-methylpent-3-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-2-phenylacetamide
CID 16718142
6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 11583268
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
N-(3-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-phenylacetamide
CID 10067773

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide?
The IUPAC name of 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide (CID 10430882) is 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide is CC(C)=CCN1CC2C(CNC(=O)C(O)(c3ccccc3)C3CCCCC3)C2C1.
What is the InChIKey of 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide?
The InChIKey is ZVWHKJBEUVCSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-18(2)13-14-27-16-22-21(23(22)17-27)15-26-24(28)25(29,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,13,20-23,29H,4,7-8,11-12,14-17H2,1-2H3,(H,26,28).
What are the key properties of 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide?
2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide has a molecular weight of 396.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 10430882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).