2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

C28H36N2O2 — CID 68904289

IUPAC2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESCc1cc(C)c(CN2CC3C(C2)C3NC(=O)C(O)(c2ccccc2)C2CCCC2)c(C)c1
InChIInChI=1S/C28H36N2O2/c1-18-13-19(2)23(20(3)14-18)15-30-16-24-25(17-30)26(24)29-27(31)28(32,22-11-7-8-12-22)21-9-5-4-6-10-21/h4-6,9-10,13-14,22,24-26,32H,7-8,11-12,15-17H2,1-3H3,(H,29,31)
InChIKeyFWBXLSCWBBPSNK-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.24
Rot. Bonds6

About 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (PubChem CID 68904289) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
PubChem CID68904289
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESCc1cc(C)c(CN2CC3C(C2)C3NC(=O)C(O)(c2ccccc2)C2CCCC2)c(C)c1
InChIInChI=1S/C28H36N2O2/c1-18-13-19(2)23(20(3)14-18)15-30-16-24-25(17-30)26(24)29-27(31)28(32,22-11-7-8-12-22)21-9-5-4-6-10-21/h4-6,9-10,13-14,22,24-26,32H,7-8,11-12,15-17H2,1-3H3,(H,29,31)
InChIKeyFWBXLSCWBBPSNK-UHFFFAOYSA-N
XLogP4.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901588
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-[(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
2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 10476022
N-(3-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-phenylacetamide
CID 10067773
N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68904416
(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-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
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide
CID 11755574

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The IUPAC name of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (CID 68904289) is 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is Cc1cc(C)c(CN2CC3C(C2)C3NC(=O)C(O)(c2ccccc2)C2CCCC2)c(C)c1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The InChIKey is FWBXLSCWBBPSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-18-13-19(2)23(20(3)14-18)15-30-16-24-25(17-30)26(24)29-27(31)28(32,22-11-7-8-12-22)21-9-5-4-6-10-21/h4-6,9-10,13-14,22,24-26,32H,7-8,11-12,15-17H2,1-3H3,(H,29,31).
What are the key properties of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide has a molecular weight of 432.61 g/mol, XLogP of 4.24, 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-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is sourced from PubChem (CID 68904289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).