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

C10H18N2O2 — CID 107939755

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1C2CNCC21
InChIInChI=1S/C10H18N2O2/c1-2-3-14-6-9(13)12-10-7-4-11-5-8(7)10/h7-8,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyOJEFZGKAFJGPTH-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.25
Rot. Bonds5

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

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide (PubChem CID 107939755) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide
PubChem CID107939755
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1C2CNCC21
InChIInChI=1S/C10H18N2O2/c1-2-3-14-6-9(13)12-10-7-4-11-5-8(7)10/h7-8,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyOJEFZGKAFJGPTH-UHFFFAOYSA-N
XLogP-0.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603309
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide
CID 112603310
N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide
CID 65427507
N-(2-amino-4-ethoxycyclobutyl)-2-propoxyacetamide
CID 107940046
N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide
CID 107941727
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
CID 111696445
N-(2-cyclobutylethyl)-2-propoxyacetamide
CID 103747320
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide
CID 43594342

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide (CID 107939755) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide is CCCOCC(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide?
The InChIKey is OJEFZGKAFJGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-14-6-9(13)12-10-7-4-11-5-8(7)10/h7-8,10-11H,2-6H2,1H3,(H,12,13).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide has a molecular weight of 198.27 g/mol, XLogP of -0.25, 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)-2-propoxyacetamide is sourced from PubChem (CID 107939755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).