N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide

C16H22N2O2 — CID 66194959

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2C(N)C3CCOC32)cc1C
InChIInChI=1S/C16H22N2O2/c1-9-3-4-11(7-10(9)2)8-13(19)18-15-14(17)12-5-6-20-16(12)15/h3-4,7,12,14-16H,5-6,8,17H2,1-2H3,(H,18,19)
InChIKeyJTHVAEHRKNIBEX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.08
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 66194959) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID66194959
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2C(N)C3CCOC32)cc1C
InChIInChI=1S/C16H22N2O2/c1-9-3-4-11(7-10(9)2)8-13(19)18-15-14(17)12-5-6-20-16(12)15/h3-4,7,12,14-16H,5-6,8,17H2,1-2H3,(H,18,19)
InChIKeyJTHVAEHRKNIBEX-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
CID 66196506
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea
CID 66196336
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3,4-dimethylphenyl)acetamide
CID 62539474
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 91778611
N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66213461
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)thiophene-3-carboxamide
CID 66196694
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-butylurea
CID 66196146
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide
CID 66197676
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methyl-6-nitrobenzamide
CID 66197475
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-methyl-2-nitrobenzamide
CID 66197087

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide (CID 66194959) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NC2C(N)C3CCOC32)cc1C.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is JTHVAEHRKNIBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-9-3-4-11(7-10(9)2)8-13(19)18-15-14(17)12-5-6-20-16(12)15/h3-4,7,12,14-16H,5-6,8,17H2,1-2H3,(H,18,19).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 66194959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).