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

C30H54N2O6 — CID 139145400

IUPAC(1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCNC(=O)[C@@]12CCC[C@@](CO)(C1)OC2(CC)CC.CCNC(=O)[C@]12CCC[C@](CO)(C1)OC2(CC)CC
InChIInChI=1S/2C15H27NO3/c2*1-4-15(5-2)14(12(18)16-6-3)9-7-8-13(10-14,11-17)19-15/h2*17H,4-11H2,1-3H3,(H,16,18)/t2*13-,14+/m10/s1
InChIKeyYPMJETQFKXLBOD-DZYJZKBLSA-N
MW538.77 g/mol
LogP4.01
Rot. Bonds10

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

(1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 139145400) has the molecular formula C30H54N2O6 and a molecular weight of 538.77 g/mol. Its IUPAC name is (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID139145400
Molecular FormulaC30H54N2O6
Molecular Weight538.77 g/mol
Exact Mass538.40
IUPAC Name(1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCNC(=O)[C@@]12CCC[C@@](CO)(C1)OC2(CC)CC.CCNC(=O)[C@]12CCC[C@](CO)(C1)OC2(CC)CC
InChIInChI=1S/2C15H27NO3/c2*1-4-15(5-2)14(12(18)16-6-3)9-7-8-13(10-14,11-17)19-15/h2*17H,4-11H2,1-3H3,(H,16,18)/t2*13-,14+/m10/s1
InChIKeyYPMJETQFKXLBOD-DZYJZKBLSA-N
XLogP4.01
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.77
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-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
Methylamide of 7,7-diethyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1]-1-carboxylic acid [1e]
CID 139145397
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
Ethylamide of 7,7-dicyclopropyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1]-1-carboxylic acid [1n]
CID 139145410
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

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide (CID 139145400) is (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide is CCNC(=O)[C@@]12CCC[C@@](CO)(C1)OC2(CC)CC.CCNC(=O)[C@]12CCC[C@](CO)(C1)OC2(CC)CC.
What is the InChIKey of (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is YPMJETQFKXLBOD-DZYJZKBLSA-N. The full InChI is InChI=1S/2C15H27NO3/c2*1-4-15(5-2)14(12(18)16-6-3)9-7-8-13(10-14,11-17)19-15/h2*17H,4-11H2,1-3H3,(H,16,18)/t2*13-,14+/m10/s1.
What are the key properties of (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide?
(1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 538.77 g/mol, XLogP of 4.01, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-N,7,7-triethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 139145400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).