N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide

C12H22N2O2 — CID 66195731

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide
SMILESCCCCCC(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C12H22N2O2/c1-2-3-4-5-9(15)14-11-10(13)8-6-7-16-12(8)11/h8,10-12H,2-7,13H2,1H3,(H,14,15)
InChIKeyGIJBMWAYRCEHGX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds5

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide (PubChem CID 66195731) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide
PubChem CID66195731
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide
SMILESCCCCCC(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C12H22N2O2/c1-2-3-4-5-9(15)14-11-10(13)8-6-7-16-12(8)11/h8,10-12H,2-7,13H2,1H3,(H,14,15)
InChIKeyGIJBMWAYRCEHGX-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.80
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

1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-butylurea
CID 66196146
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66197280
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103557335
N-(2-methyloxolan-3-yl)decanamide
CID 146252174
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclooctanecarboxamide
CID 66195942
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide
CID 66211720
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide
CID 65427507
methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate
CID 66195757
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 91778611
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide
CID 66211531
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209590

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide (CID 66195731) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide is CCCCCC(=O)NC1C(N)C2CCOC21.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide?
The InChIKey is GIJBMWAYRCEHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-4-5-9(15)14-11-10(13)8-6-7-16-12(8)11/h8,10-12H,2-7,13H2,1H3,(H,14,15).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide has a molecular weight of 226.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide is sourced from PubChem (CID 66195731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).