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

C26H32N2O2 — CID 68901588

IUPAC2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
SMILESCc1ccccc1CN1CC2C(NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@H]2C1
InChIInChI=1S/C26H32N2O2/c1-18-9-5-6-10-19(18)15-28-16-22-23(17-28)24(22)27-25(29)26(30,21-13-7-8-14-21)20-11-3-2-4-12-20/h2-6,9-12,21-24,30H,7-8,13-17H2,1H3,(H,27,29)/t22-,23?,24?,26?/m0/s1
InChIKeyZVZDDYQIPGXZSR-IKWMWOSCSA-N
MW404.55 g/mol
LogP3.62
Rot. Bonds6

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

2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide (PubChem CID 68901588) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
PubChem CID68901588
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
SMILESCc1ccccc1CN1CC2C(NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@H]2C1
InChIInChI=1S/C26H32N2O2/c1-18-9-5-6-10-19(18)15-28-16-22-23(17-28)24(22)27-25(29)26(30,21-13-7-8-14-21)20-11-3-2-4-12-20/h2-6,9-12,21-24,30H,7-8,13-17H2,1H3,(H,27,29)/t22-,23?,24?,26?/m0/s1
InChIKeyZVZDDYQIPGXZSR-IKWMWOSCSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide (CID 68901588) is 2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide is Cc1ccccc1CN1CC2C(NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@H]2C1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
The InChIKey is ZVZDDYQIPGXZSR-IKWMWOSCSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-18-9-5-6-10-19(18)15-28-16-22-23(17-28)24(22)27-25(29)26(30,21-13-7-8-14-21)20-11-3-2-4-12-20/h2-6,9-12,21-24,30H,7-8,13-17H2,1H3,(H,27,29)/t22-,23?,24?,26?/m0/s1.
What are the key properties of 2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide?
2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide has a molecular weight of 404.55 g/mol, XLogP of 3.62, 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-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide is sourced from PubChem (CID 68901588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).