N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide

C16H20N2O2 — CID 10468467

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1C2CNCC21)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C16H20N2O2/c19-15(18-14-12-8-17-9-13(12)14)16(20,11-6-7-11)10-4-2-1-3-5-10/h1-5,11-14,17,20H,6-9H2,(H,18,19)
InChIKeyLKZBBWDXTUOCDC-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.62
Rot. Bonds4

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide (PubChem CID 10468467) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide
PubChem CID10468467
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1C2CNCC21)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C16H20N2O2/c19-15(18-14-12-8-17-9-13(12)14)16(20,11-6-7-11)10-4-2-1-3-5-10/h1-5,11-14,17,20H,6-9H2,(H,18,19)
InChIKeyLKZBBWDXTUOCDC-UHFFFAOYSA-N
XLogP0.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3-azabicyclo[3.1.0]hexan-6-ylamino)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11653500
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methyl-2-phenylpropanamide
CID 43594425
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11689131
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
(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-2-phenylacetohydrazide
CID 71945316
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11551423
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 10089233
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
(2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
CID 100931985

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide (CID 10468467) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide is O=C(NC1C2CNCC21)C(O)(c1ccccc1)C1CC1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide?
The InChIKey is LKZBBWDXTUOCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(18-14-12-8-17-9-13(12)14)16(20,11-6-7-11)10-4-2-1-3-5-10/h1-5,11-14,17,20H,6-9H2,(H,18,19).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide has a molecular weight of 272.35 g/mol, XLogP of 0.62, 4 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-cyclopropyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10468467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).