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

C12H22N2O2 — CID 66211145

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C12H22N2O2/c1-3-7(2)12(15)14-10-9(13)8-5-4-6-16-11(8)10/h7-11H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyBTERERLQHMBUKF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.65
Rot. Bonds3

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

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide (PubChem CID 66211145) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide
PubChem CID66211145
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C12H22N2O2/c1-3-7(2)12(15)14-10-9(13)8-5-4-6-16-11(8)10/h7-11H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyBTERERLQHMBUKF-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-methylbutanamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide (CID 66211145) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide is CCC(C)C(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide?
The InChIKey is BTERERLQHMBUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-7(2)12(15)14-10-9(13)8-5-4-6-16-11(8)10/h7-11H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylbutanamide has a molecular weight of 226.32 g/mol, XLogP of 0.65, 3 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-methylbutanamide is sourced from PubChem (CID 66211145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).