N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide

C27H34N2O2 — CID 69313493

IUPACN-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(O)(C(=O)NCC2C3CN(Cc4ccccc4)C[C@H]23)C2CCCC2)c1
InChIInChI=1S/C27H34N2O2/c1-19-8-7-13-22(14-19)27(31,21-11-5-6-12-21)26(30)28-15-23-24-17-29(18-25(23)24)16-20-9-3-2-4-10-20/h2-4,7-10,13-14,21,23-25,31H,5-6,11-12,15-18H2,1H3,(H,28,30)/t23?,24-,25?,27?/m1/s1
InChIKeyUPWRSXHWHPNTLT-QMNFSNJMSA-N
MW418.58 g/mol
LogP3.87
Rot. Bonds7

About N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide

N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide (PubChem CID 69313493) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide
PubChem CID69313493
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC NameN-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide
SMILESCc1cccc(C(O)(C(=O)NCC2C3CN(Cc4ccccc4)C[C@H]23)C2CCCC2)c1
InChIInChI=1S/C27H34N2O2/c1-19-8-7-13-22(14-19)27(31,21-11-5-6-12-21)26(30)28-15-23-24-17-29(18-25(23)24)16-20-9-3-2-4-10-20/h2-4,7-10,13-14,21,23-25,31H,5-6,11-12,15-18H2,1H3,(H,28,30)/t23?,24-,25?,27?/m1/s1
InChIKeyUPWRSXHWHPNTLT-QMNFSNJMSA-N
XLogP3.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.87
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
2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313
N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide
CID 11487138
2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 10430882
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
(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
N-[[(5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-3-methyl-2-phenylbutanamide
CID 69437634
[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 16718273
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
(2R)-N-[[[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 16718276
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11689131

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide (CID 69313493) is N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide is Cc1cccc(C(O)(C(=O)NCC2C3CN(Cc4ccccc4)C[C@H]23)C2CCCC2)c1.
What is the InChIKey of N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide?
The InChIKey is UPWRSXHWHPNTLT-QMNFSNJMSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-19-8-7-13-22(14-19)27(31,21-11-5-6-12-21)26(30)28-15-23-24-17-29(18-25(23)24)16-20-9-3-2-4-10-20/h2-4,7-10,13-14,21,23-25,31H,5-6,11-12,15-18H2,1H3,(H,28,30)/t23?,24-,25?,27?/m1/s1.
What are the key properties of N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide?
N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide has a molecular weight of 418.58 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 69313493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).