N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide

C13H24N2O2 — CID 66211720

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C13H24N2O2/c1-3-5-8(2)13(16)15-11-10(14)9-6-4-7-17-12(9)11/h8-12H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyXDAGWNBZWSHYES-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds4

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide (PubChem CID 66211720) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide
PubChem CID66211720
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C13H24N2O2/c1-3-5-8(2)13(16)15-11-10(14)9-6-4-7-17-12(9)11/h8-12H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyXDAGWNBZWSHYES-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide
CID 82987244
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide
CID 113422273
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide
CID 66212695
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclopentylacetamide
CID 66211728
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
CID 103165028
N-cycloheptyl-2-methylpentanamide
CID 4532030
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyclopentylpropanamide
CID 66213463
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)hexanamide
CID 66195731
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-butylurea
CID 66196146
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209590
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-ethoxybenzamide
CID 66211142
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dihydroxybenzamide
CID 114345078

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide (CID 66211720) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide is CCCC(C)C(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide?
The InChIKey is XDAGWNBZWSHYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-8(2)13(16)15-11-10(14)9-6-4-7-17-12(9)11/h8-12H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide has a molecular weight of 240.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide is sourced from PubChem (CID 66211720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).