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

C13H16N2O2 — CID 43594388

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2C3CNCC32)c1O
InChIInChI=1S/C13H16N2O2/c1-7-3-2-4-8(12(7)16)13(17)15-11-9-5-14-6-10(9)11/h2-4,9-11,14,16H,5-6H2,1H3,(H,15,17)
InChIKeyRCRXUZRKVZWIFD-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.65
Rot. Bonds2

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

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide (PubChem CID 43594388) 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-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide
PubChem CID43594388
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2C3CNCC32)c1O
InChIInChI=1S/C13H16N2O2/c1-7-3-2-4-8(12(7)16)13(17)15-11-9-5-14-6-10(9)11/h2-4,9-11,14,16H,5-6H2,1H3,(H,15,17)
InChIKeyRCRXUZRKVZWIFD-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide
CID 43594423
2-hydroxy-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63373409
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide
CID 65312004
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylfuran-3-carboxamide
CID 43594332
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1H-indole-4-carboxamide
CID 43594493
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
CID 114312067
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 66184160

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide (CID 43594388) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC2C3CNCC32)c1O.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide?
The InChIKey is RCRXUZRKVZWIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7-3-2-4-8(12(7)16)13(17)15-11-9-5-14-6-10(9)11/h2-4,9-11,14,16H,5-6H2,1H3,(H,15,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 0.65, 2 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-hydroxy-3-methylbenzamide is sourced from PubChem (CID 43594388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).