2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide

C28H36N2O2 — CID 11201313

IUPAC2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
SMILESCc1ccc(CN2CC3C(CNC(=O)C(O)(c4ccccc4)C4CCCCC4)C3C2)cc1
InChIInChI=1S/C28H36N2O2/c1-20-12-14-21(15-13-20)17-30-18-25-24(26(25)19-30)16-29-27(31)28(32,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,23-26,32H,3,6-7,10-11,16-19H2,1H3,(H,29,31)
InChIKeyULWPEXDAOPCLEJ-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.26
Rot. Bonds7

About 2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide

2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide (PubChem CID 11201313) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
PubChem CID11201313
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
SMILESCc1ccc(CN2CC3C(CNC(=O)C(O)(c4ccccc4)C4CCCCC4)C3C2)cc1
InChIInChI=1S/C28H36N2O2/c1-20-12-14-21(15-13-20)17-30-18-25-24(26(25)19-30)16-29-27(31)28(32,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,23-26,32H,3,6-7,10-11,16-19H2,1H3,(H,29,31)
InChIKeyULWPEXDAOPCLEJ-UHFFFAOYSA-N
XLogP4.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 69309714
N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide
CID 69313493
2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 10430882
N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide
CID 11487138
(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-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
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-[[(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-cyclohexyl-2-hydroxy-2-phenyl-N-[[[(1R,5S)-3-(pyridin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]acetamide
CID 16717926
[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 16718273
N-[[(5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-3-methyl-2-phenylbutanamide
CID 69437634

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide?
The IUPAC name of 2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide (CID 11201313) is 2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide is Cc1ccc(CN2CC3C(CNC(=O)C(O)(c4ccccc4)C4CCCCC4)C3C2)cc1.
What is the InChIKey of 2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide?
The InChIKey is ULWPEXDAOPCLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-20-12-14-21(15-13-20)17-30-18-25-24(26(25)19-30)16-29-27(31)28(32,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,23-26,32H,3,6-7,10-11,16-19H2,1H3,(H,29,31).
What are the key properties of 2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide?
2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide has a molecular weight of 432.61 g/mol, XLogP of 4.26, 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-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 11201313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).