N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide

C13H16N2O2 — CID 61399479

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1C2CNCC21
InChIInChI=1S/C13H16N2O2/c16-9-3-1-2-8(4-9)5-12(17)15-13-10-6-14-7-11(10)13/h1-4,10-11,13-14,16H,5-7H2,(H,15,17)
InChIKeyZSNWXWMFTAATKE-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.27
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 61399479) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide
PubChem CID61399479
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1C2CNCC21
InChIInChI=1S/C13H16N2O2/c16-9-3-1-2-8(4-9)5-12(17)15-13-10-6-14-7-11(10)13/h1-4,10-11,13-14,16H,5-7H2,(H,15,17)
InChIKeyZSNWXWMFTAATKE-UHFFFAOYSA-N
XLogP0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3,4-dimethylphenyl)acetamide
CID 62539474
1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235385
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide
CID 133267093
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
N-(2,3-dimethylcyclopentyl)-2-(3-hydroxyphenyl)acetamide
CID 64921822
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632
N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045
N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114305087
N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
CID 43594379

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide (CID 61399479) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is ZSNWXWMFTAATKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-9-3-1-2-8(4-9)5-12(17)15-13-10-6-14-7-11(10)13/h1-4,10-11,13-14,16H,5-7H2,(H,15,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 61399479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).