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

C15H28N2O2 — CID 82987244

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C15H28N2O2/c1-3-6-10(7-4-2)15(18)17-13-12(16)11-8-5-9-19-14(11)13/h10-14H,3-9,16H2,1-2H3,(H,17,18)
InChIKeyGPHWXMSDMVWXHL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.82
Rot. Bonds6

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

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide (PubChem CID 82987244) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide
PubChem CID82987244
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C15H28N2O2/c1-3-6-10(7-4-2)15(18)17-13-12(16)11-8-5-9-19-14(11)13/h10-14H,3-9,16H2,1-2H3,(H,17,18)
InChIKeyGPHWXMSDMVWXHL-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.82
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-methylpentanamide
CID 66211720
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-(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)propane-2-sulfonamide
CID 66211739
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-propylpentanamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide (CID 82987244) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide is CCCC(CCC)C(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide?
The InChIKey is GPHWXMSDMVWXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-6-10(7-4-2)15(18)17-13-12(16)11-8-5-9-19-14(11)13/h10-14H,3-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 1.82, 6 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-propylpentanamide is sourced from PubChem (CID 82987244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).