N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide

C14H18N2O2 — CID 43594528

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1C2CNCC21
InChIInChI=1S/C14H18N2O2/c17-13(16-14-11-8-15-9-12(11)14)6-7-18-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)
InChIKeyGNQJJPWJAKBTOG-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.79
Rot. Bonds5

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide (PubChem CID 43594528) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide
PubChem CID43594528
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1C2CNCC21
InChIInChI=1S/C14H18N2O2/c17-13(16-14-11-8-15-9-12(11)14)6-7-18-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)
InChIKeyGNQJJPWJAKBTOG-UHFFFAOYSA-N
XLogP0.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenylpropanamide
CID 43594407
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
N-(2-chlorocyclopentyl)-3-phenoxypropanamide
CID 114189389
N-(2-oxo-2-piperazin-1-ylethyl)-3-phenoxypropanamide
CID 28708780
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-phenoxypropanamide
CID 79698744
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 120663762
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide (CID 43594528) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide?
The InChIKey is GNQJJPWJAKBTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(16-14-11-8-15-9-12(11)14)6-7-18-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide has a molecular weight of 246.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 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)-3-phenoxypropanamide is sourced from PubChem (CID 43594528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).