N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide

C15H26N2O3 — CID 66210572

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NC2C(N)C3CCCOC32)C1C
InChIInChI=1S/C15H26N2O3/c1-7-8(2)20-9(3)11(7)15(18)17-13-12(16)10-5-4-6-19-14(10)13/h7-14H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyZWASCSQUPALZKW-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.67
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 66210572) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID66210572
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NC2C(N)C3CCCOC32)C1C
InChIInChI=1S/C15H26N2O3/c1-7-8(2)20-9(3)11(7)15(18)17-13-12(16)10-5-4-6-19-14(10)13/h7-14H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyZWASCSQUPALZKW-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide (CID 66210572) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NC2C(N)C3CCCOC32)C1C.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is ZWASCSQUPALZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-7-8(2)20-9(3)11(7)15(18)17-13-12(16)10-5-4-6-19-14(10)13/h7-14H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 66210572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).