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

C13H22N2O2 — CID 103165028

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
SMILESNC1C2CCCOC2C1NC(=O)CC1CCC1
InChIInChI=1S/C13H22N2O2/c14-11-9-5-2-6-17-13(9)12(11)15-10(16)7-8-3-1-4-8/h8-9,11-13H,1-7,14H2,(H,15,16)
InChIKeyHQMPFZCIFOCHFR-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.80
Rot. Bonds3

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

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide (PubChem CID 103165028) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
PubChem CID103165028
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
SMILESNC1C2CCCOC2C1NC(=O)CC1CCC1
InChIInChI=1S/C13H22N2O2/c14-11-9-5-2-6-17-13(9)12(11)15-10(16)7-8-3-1-4-8/h8-9,11-13H,1-7,14H2,(H,15,16)
InChIKeyHQMPFZCIFOCHFR-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.80
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-cyclopentylacetamide
CID 66211728
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyclopentylpropanamide
CID 66213463
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)oxolane-2-carboxamide
CID 66212695
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide
CID 66210558
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)-3-(furan-2-yl)propanamide
CID 66211531
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)-3-imidazol-1-ylpropanamide
CID 66213092
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66213461
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dihydroxybenzamide
CID 114345078
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103557335

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide (CID 103165028) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide is NC1C2CCCOC2C1NC(=O)CC1CCC1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide?
The InChIKey is HQMPFZCIFOCHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-11-9-5-2-6-17-13(9)12(11)15-10(16)7-8-3-1-4-8/h8-9,11-13H,1-7,14H2,(H,15,16).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide has a molecular weight of 238.33 g/mol, XLogP of 0.80, 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-cyclobutylacetamide is sourced from PubChem (CID 103165028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).