N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide

C28H30N2O2 — CID 11487138

IUPACN-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(C(O)(C(=O)NCC2C3CN(Cc4ccccc4)CC23)c2ccccc2)cc1
InChIInChI=1S/C28H30N2O2/c1-20-12-14-23(15-13-20)28(32,22-10-6-3-7-11-22)27(31)29-16-24-25-18-30(19-26(24)25)17-21-8-4-2-5-9-21/h2-15,24-26,32H,16-19H2,1H3,(H,29,31)
InChIKeyBQGMVRIGWTYMQO-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.73
Rot. Bonds7

About N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide

N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide (PubChem CID 11487138) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide
PubChem CID11487138
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC NameN-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(C(O)(C(=O)NCC2C3CN(Cc4ccccc4)CC23)c2ccccc2)cc1
InChIInChI=1S/C28H30N2O2/c1-20-12-14-23(15-13-20)28(32,22-10-6-3-7-11-22)27(31)29-16-24-25-18-30(19-26(24)25)17-21-8-4-2-5-9-21/h2-15,24-26,32H,16-19H2,1H3,(H,29,31)
InChIKeyBQGMVRIGWTYMQO-UHFFFAOYSA-N
XLogP3.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide with MolForge

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Related Compounds

2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313
N-[[(5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-3-methyl-2-phenylbutanamide
CID 69437634
N-[[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclopentyl-2-hydroxy-2-(3-methylphenyl)acetamide
CID 69313493
(2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 69309714
2-hydroxy-N-[[3-methyl-3-[(4-methylphenyl)methyl]-3-azoniabicyclo[3.1.0]hexan-6-yl]methyl]-2,2-diphenylacetamide iodide
CID 25031465
N-[(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl)methyl]-2-hydroxy-2-phenylhex-4-enamide
CID 69470448
3-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2,2-diphenylpropanoic acid;hydrochloride
CID 25120361
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate
CID 69116729
2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 10430882
[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 16718273
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide (CID 11487138) is N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide is Cc1ccc(C(O)(C(=O)NCC2C3CN(Cc4ccccc4)CC23)c2ccccc2)cc1.
What is the InChIKey of N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is BQGMVRIGWTYMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-20-12-14-23(15-13-20)28(32,22-10-6-3-7-11-22)27(31)29-16-24-25-18-30(19-26(24)25)17-21-8-4-2-5-9-21/h2-15,24-26,32H,16-19H2,1H3,(H,29,31).
What are the key properties of N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide?
N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 426.56 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 11487138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).