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

C29H32N2O2 — CID 10026270

IUPAC2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
SMILESO=C(NC1[C@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C29H32N2O2/c32-28(29(33,24-12-6-7-13-24)23-10-2-1-3-11-23)30-27-25-18-31(19-26(25)27)17-20-14-15-21-8-4-5-9-22(21)16-20/h1-5,8-11,14-16,24-27,33H,6-7,12-13,17-19H2,(H,30,32)/t25-,26+,27?,29?
InChIKeyIVSJNZMKHDIKEU-RUNGFNRWSA-N
MW440.59 g/mol
LogP4.46
Rot. Bonds6

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

2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide (PubChem CID 10026270) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
PubChem CID10026270
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
SMILESO=C(NC1[C@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C29H32N2O2/c32-28(29(33,24-12-6-7-13-24)23-10-2-1-3-11-23)30-27-25-18-31(19-26(25)27)17-20-14-15-21-8-4-5-9-22(21)16-20/h1-5,8-11,14-16,24-27,33H,6-7,12-13,17-19H2,(H,30,32)/t25-,26+,27?,29?
InChIKeyIVSJNZMKHDIKEU-RUNGFNRWSA-N
XLogP4.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 10095718
2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 68905575
N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68904416
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
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-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 69028279
(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-[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-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide (CID 10026270) is 2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide is O=C(NC1[C@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
The InChIKey is IVSJNZMKHDIKEU-RUNGFNRWSA-N. The full InChI is InChI=1S/C29H32N2O2/c32-28(29(33,24-12-6-7-13-24)23-10-2-1-3-11-23)30-27-25-18-31(19-26(25)27)17-20-14-15-21-8-4-5-9-22(21)16-20/h1-5,8-11,14-16,24-27,33H,6-7,12-13,17-19H2,(H,30,32)/t25-,26+,27?,29?.
What are the key properties of 2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide has a molecular weight of 440.59 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide is sourced from PubChem (CID 10026270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).