2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

C25H38N2O2 — CID 10476022

IUPAC2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESCCCCCCCN1C[C@@H]2C(NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@@H]2C1
InChIInChI=1S/C25H38N2O2/c1-2-3-4-5-11-16-27-17-21-22(18-27)23(21)26-24(28)25(29,20-14-9-10-15-20)19-12-7-6-8-13-19/h6-8,12-13,20-23,29H,2-5,9-11,14-18H2,1H3,(H,26,28)/t21-,22+,23?,25?
InChIKeySSRRYYYOKRBRSY-PMLGBOFDSA-N
MW398.59 g/mol
LogP4.08
Rot. Bonds10

About 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 10476022) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
PubChem CID10476022
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Name2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESCCCCCCCN1C[C@@H]2C(NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@@H]2C1
InChIInChI=1S/C25H38N2O2/c1-2-3-4-5-11-16-27-17-21-22(18-27)23(21)26-24(28)25(29,20-14-9-10-15-20)19-12-7-6-8-13-19/h6-8,12-13,20-23,29H,2-5,9-11,14-18H2,1H3,(H,26,28)/t21-,22+,23?,25?
InChIKeySSRRYYYOKRBRSY-PMLGBOFDSA-N
XLogP4.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-phenylacetamide
CID 10067773
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 91930079
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-[(5R)-3-(2-phenoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901547
2-cyclopentyl-2-hydroxy-N-[3-(2-phenoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901545
2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 69028279
N-[3-[2-(4-chlorophenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68901585
2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901588
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68904289
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68902806
2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 10026270
2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 10411904

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (CID 10476022) is 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is CCCCCCCN1C[C@@H]2C(NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@@H]2C1.
What is the InChIKey of 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is SSRRYYYOKRBRSY-PMLGBOFDSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-2-3-4-5-11-16-27-17-21-22(18-27)23(21)26-24(28)25(29,20-14-9-10-15-20)19-12-7-6-8-13-19/h6-8,12-13,20-23,29H,2-5,9-11,14-18H2,1H3,(H,26,28)/t21-,22+,23?,25?.
What are the key properties of 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 398.59 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10476022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).