(1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide

C28H50N2O6 — CID 139145397

IUPAC(1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCC1(CC)O[C@@]2(CO)CCC[C@]1(C(=O)NC)C2.CCC1(CC)O[C@]2(CO)CCC[C@@]1(C(=O)NC)C2
InChIInChI=1S/2C14H25NO3/c2*1-4-14(5-2)13(11(17)15-3)8-6-7-12(9-13,10-16)18-14/h2*16H,4-10H2,1-3H3,(H,15,17)/t2*12-,13+/m10/s1
InChIKeyIKWCEFFQDUCSKZ-LIPFMWGZSA-N
MW510.72 g/mol
LogP3.23
Rot. Bonds8

About (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide

(1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 139145397) has the molecular formula C28H50N2O6 and a molecular weight of 510.72 g/mol. Its IUPAC name is (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID139145397
Molecular FormulaC28H50N2O6
Molecular Weight510.72 g/mol
Exact Mass510.37
IUPAC Name(1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCC1(CC)O[C@@]2(CO)CCC[C@]1(C(=O)NC)C2.CCC1(CC)O[C@]2(CO)CCC[C@@]1(C(=O)NC)C2
InChIInChI=1S/2C14H25NO3/c2*1-4-14(5-2)13(11(17)15-3)8-6-7-12(9-13,10-16)18-14/h2*16H,4-10H2,1-3H3,(H,15,17)/t2*12-,13+/m10/s1
InChIKeyIKWCEFFQDUCSKZ-LIPFMWGZSA-N
XLogP3.23
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.72
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide with MolForge

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Related Compounds

5-hydroxymethyl-7,7,N-trimethyl-6-oxabicyclo(3.2.1)octane-1-carboxamide
CID 139060377
5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 91048162
Methylamide of the 7,7-dimethyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]-1-carboxylic acid [1a]
CID 139145393
Ethylamide of 7,7-diethyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1]-1-carboxylic acid [1f]
CID 139145400
Propylamide of 7,7-diethyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]-1-carboxylic acid [1g]
CID 139145403
Methylamide of 7,7-dipropyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1]-1-carboxylic acid [1i]
CID 139145406
Ethylamide of 7,7-dipropyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1]-1-carboxylic acid [1j]
CID 139145409
N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 102085541
5-(hydroxymethyl)-7,7-dimethyl-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 102085542
7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 102085544
N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 102085545
7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 102085546

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (CID 139145397) is (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is CCC1(CC)O[C@@]2(CO)CCC[C@]1(C(=O)NC)C2.CCC1(CC)O[C@]2(CO)CCC[C@@]1(C(=O)NC)C2.
What is the InChIKey of (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is IKWCEFFQDUCSKZ-LIPFMWGZSA-N. The full InChI is InChI=1S/2C14H25NO3/c2*1-4-14(5-2)13(11(17)15-3)8-6-7-12(9-13,10-16)18-14/h2*16H,4-10H2,1-3H3,(H,15,17)/t2*12-,13+/m10/s1.
What are the key properties of (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
(1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 510.72 g/mol, XLogP of 3.23, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-7,7-diethyl-5-(hydroxymethyl)-N-methyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 139145397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).