N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C20H33NO2 — CID 102560704

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCN(C(=O)C1CCC2CCCCC2C1)C1C2CCOC2C1(C)C
InChIInChI=1S/C20H33NO2/c1-20(2)17(16-10-11-23-18(16)20)21(3)19(22)15-9-8-13-6-4-5-7-14(13)12-15/h13-18H,4-12H2,1-3H3
InChIKeyQHPZQQZOYFAFPO-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.86
Rot. Bonds2

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 102560704) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID102560704
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCN(C(=O)C1CCC2CCCCC2C1)C1C2CCOC2C1(C)C
InChIInChI=1S/C20H33NO2/c1-20(2)17(16-10-11-23-18(16)20)21(3)19(22)15-9-8-13-6-4-5-7-14(13)12-15/h13-18H,4-12H2,1-3H3
InChIKeyQHPZQQZOYFAFPO-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 102638431
N,N'-bis(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,N'-dimethylethane-1,2-diamine
CID 102558002
3-bromo-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylthiophene-2-carboxamide
CID 95635233
3-bromo-N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methylthiophene-2-carboxamide
CID 124727008
2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-propylamino]-1-piperidin-1-ylethanone
CID 124867178
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-hydroxy-N-methyl-3-nitrobenzamide
CID 99706441
N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 129427344
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
CID 102553817
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
CID 102554671
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 112548115
N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-2-(N-methyl-2-nitroanilino)acetamide
CID 124866382
N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(4-fluorophenyl)-N-methyltriazole-4-carboxamide
CID 124734264

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 102560704) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CN(C(=O)C1CCC2CCCCC2C1)C1C2CCOC2C1(C)C.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is QHPZQQZOYFAFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-20(2)17(16-10-11-23-18(16)20)21(3)19(22)15-9-8-13-6-4-5-7-14(13)12-15/h13-18H,4-12H2,1-3H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 319.49 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 102560704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).