N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide

C26H32N2O — CID 68902944

IUPACN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1C2CN(Cc3ccccc3)CC21)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H32N2O/c29-26(24(20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-25-22-17-28(18-23(22)25)16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-25H,3,8-9,14-18H2,(H,27,29)
InChIKeyHEPUYZKAGKSZCG-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.60
Rot. Bonds6

About N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide

N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide (PubChem CID 68902944) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
PubChem CID68902944
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1C2CN(Cc3ccccc3)CC21)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H32N2O/c29-26(24(20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-25-22-17-28(18-23(22)25)16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-25H,3,8-9,14-18H2,(H,27,29)
InChIKeyHEPUYZKAGKSZCG-UHFFFAOYSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
CID 117065975
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide
CID 10050623
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide?
The IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide (CID 68902944) is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide.
What is the SMILES notation for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide?
The canonical SMILES for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide is O=C(NC1C2CN(Cc3ccccc3)CC21)C(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide?
The InChIKey is HEPUYZKAGKSZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c29-26(24(20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-25-22-17-28(18-23(22)25)16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-25H,3,8-9,14-18H2,(H,27,29).
What are the key properties of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide?
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide has a molecular weight of 388.56 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide is sourced from PubChem (CID 68902944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).