2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide

C15H28N2O2 — CID 112568428

IUPAC2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H28N2O2/c1-10(2)8-16-12(18)9-17-13-11-6-5-7-19-14(11)15(13,3)4/h10-11,13-14,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyXSHDRKNVPFXATH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.55
Rot. Bonds5

About 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide

2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 112568428) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID112568428
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H28N2O2/c1-10(2)8-16-12(18)9-17-13-11-6-5-7-19-14(11)15(13,3)4/h10-11,13-14,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyXSHDRKNVPFXATH-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 119145751
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N-propylacetamide
CID 64865245
tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate
CID 81463041
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
N-(2-methylpropyl)-2-(oxan-3-ylamino)acetamide
CID 63363449
8,8-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865180
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-dimethylpropanamide
CID 64864982
8,8-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865555
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 79352806
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide
CID 102676232
8,8-dimethyl-N-(2-phenylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863032

Frequently Asked Questions

What is the IUPAC name of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide (CID 112568428) is 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC1C2CCCOC2C1(C)C.
What is the InChIKey of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is XSHDRKNVPFXATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(2)8-16-12(18)9-17-13-11-6-5-7-19-14(11)15(13,3)4/h10-11,13-14,17H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 112568428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).