N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

C26H29N3O2 — CID 68904416

IUPACN-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESN#Cc1cccc(CN2CC3C(NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)c1
InChIInChI=1S/C26H29N3O2/c27-14-18-7-6-8-19(13-18)15-29-16-22-23(17-29)24(22)28-25(30)26(31,21-11-4-5-12-21)20-9-2-1-3-10-20/h1-3,6-10,13,21-24,31H,4-5,11-12,15-17H2,(H,28,30)/t22-,23?,24?,26?/m0/s1
InChIKeyGCMAERWLZMUGAV-IKWMWOSCSA-N
MW415.54 g/mol
LogP3.18
Rot. Bonds6

About N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (PubChem CID 68904416) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
PubChem CID68904416
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESN#Cc1cccc(CN2CC3C(NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)c1
InChIInChI=1S/C26H29N3O2/c27-14-18-7-6-8-19(13-18)15-29-16-22-23(17-29)24(22)28-25(30)26(31,21-11-4-5-12-21)20-9-2-1-3-10-20/h1-3,6-10,13,21-24,31H,4-5,11-12,15-17H2,(H,28,30)/t22-,23?,24?,26?/m0/s1
InChIKeyGCMAERWLZMUGAV-IKWMWOSCSA-N
XLogP3.18
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 10026270
2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 68905575
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68904289
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide
CID 11755574
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 91930079
2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901588
(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
(2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 69309714
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide
CID 10050623
2-cyclopentyl-2-hydroxy-N-[3-(2-phenoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901545
N-[3-[2-(4-chlorophenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68901585

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (CID 68904416) is N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is N#Cc1cccc(CN2CC3C(NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)c1.
What is the InChIKey of N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The InChIKey is GCMAERWLZMUGAV-IKWMWOSCSA-N. The full InChI is InChI=1S/C26H29N3O2/c27-14-18-7-6-8-19(13-18)15-29-16-22-23(17-29)24(22)28-25(30)26(31,21-11-4-5-12-21)20-9-2-1-3-10-20/h1-3,6-10,13,21-24,31H,4-5,11-12,15-17H2,(H,28,30)/t22-,23?,24?,26?/m0/s1.
What are the key properties of N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide has a molecular weight of 415.54 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 68904416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).