N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride

C20H29ClN2O2 — CID 11689131

IUPACN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride
SMILESCl.O=C(NCC1[C@H]2CNC[C@@H]12)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H28N2O2.ClH/c23-19(22-13-18-16-11-21-12-17(16)18)20(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15;/h1,3-4,7-8,15-18,21,24H,2,5-6,9-13H2,(H,22,23);1H/t16-,17+,18?,20?;
InChIKeyAXDPMWCNPWXGAM-DGPRCEOPSA-N
MW364.92 g/mol
LogP2.46
Rot. Bonds5

About N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride

N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride (PubChem CID 11689131) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride
PubChem CID11689131
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride
SMILESCl.O=C(NCC1[C@H]2CNC[C@@H]12)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H28N2O2.ClH/c23-19(22-13-18-16-11-21-12-17(16)18)20(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15;/h1,3-4,7-8,15-18,21,24H,2,5-6,9-13H2,(H,22,23);1H/t16-,17+,18?,20?;
InChIKeyAXDPMWCNPWXGAM-DGPRCEOPSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3-azabicyclo[3.1.0]hexan-6-ylamino)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11653500
(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 10089233
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide
CID 69309723
N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 11179117
2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 10430882
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11551423
2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313
6-[[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]methyl]-N-(4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 11583268
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide
CID 10468467
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-hydroxy-3-methyl-2-phenylbutanamide;hydrochloride
CID 11544365
2-cyclohexyl-2-hydroxy-2-phenyl-N-[4-(propan-2-ylamino)but-2-ynyl]acetamide;hydrochloride
CID 19775509
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

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride (CID 11689131) is N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride is Cl.O=C(NCC1[C@H]2CNC[C@@H]12)C(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride?
The InChIKey is AXDPMWCNPWXGAM-DGPRCEOPSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c23-19(22-13-18-16-11-21-12-17(16)18)20(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15;/h1,3-4,7-8,15-18,21,24H,2,5-6,9-13H2,(H,22,23);1H/t16-,17+,18?,20?;.
What are the key properties of N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride?
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 11689131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).