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

C17H32N2O — CID 65427507

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1C2CNCC21
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-17-14-12-18-13-15(14)17/h14-15,17-18H,2-13H2,1H3,(H,19,20)
InChIKeyWKKSVOWIJJFRSH-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.24
Rot. Bonds11

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

N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide (PubChem CID 65427507) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide
PubChem CID65427507
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC1C2CNCC21
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-17-14-12-18-13-15(14)17/h14-15,17-18H,2-13H2,1H3,(H,19,20)
InChIKeyWKKSVOWIJJFRSH-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
N-(4-methylpiperidin-3-yl)nonanamide
CID 65449508
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-(azepan-4-yl)dodecanamide
CID 105060891

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide (CID 65427507) is N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide is CCCCCCCCCCCC(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide?
The InChIKey is WKKSVOWIJJFRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-17-14-12-18-13-15(14)17/h14-15,17-18H,2-13H2,1H3,(H,19,20).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide has a molecular weight of 280.46 g/mol, XLogP of 3.24, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide is sourced from PubChem (CID 65427507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).