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

C24H42N2O6 — CID 139145393

IUPAC(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCNC(=O)[C@@]12CCC[C@@](CO)(C1)OC2(C)C.CNC(=O)[C@]12CCC[C@](CO)(C1)OC2(C)C
InChIInChI=1S/2C12H21NO3/c2*1-10(2)12(9(15)13-3)6-4-5-11(7-12,8-14)16-10/h2*14H,4-8H2,1-3H3,(H,13,15)/t2*11-,12+/m10/s1
InChIKeyIWMVCGDRGHFLMD-FBVLPHPLSA-N
MW454.61 g/mol
LogP1.67
Rot. Bonds4

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

(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 139145393) has the molecular formula C24H42N2O6 and a molecular weight of 454.61 g/mol. Its IUPAC name is (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID139145393
Molecular FormulaC24H42N2O6
Molecular Weight454.61 g/mol
Exact Mass454.30
IUPAC Name(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCNC(=O)[C@@]12CCC[C@@](CO)(C1)OC2(C)C.CNC(=O)[C@]12CCC[C@](CO)(C1)OC2(C)C
InChIInChI=1S/2C12H21NO3/c2*1-10(2)12(9(15)13-3)6-4-5-11(7-12,8-14)16-10/h2*14H,4-8H2,1-3H3,(H,13,15)/t2*11-,12+/m10/s1
InChIKeyIWMVCGDRGHFLMD-FBVLPHPLSA-N
XLogP1.67
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 7,7-diethyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1]-1-carboxylic acid [1e]
CID 139145397
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)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (CID 139145393) is (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is CNC(=O)[C@@]12CCC[C@@](CO)(C1)OC2(C)C.CNC(=O)[C@]12CCC[C@](CO)(C1)OC2(C)C.
What is the InChIKey of (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is IWMVCGDRGHFLMD-FBVLPHPLSA-N. The full InChI is InChI=1S/2C12H21NO3/c2*1-10(2)12(9(15)13-3)6-4-5-11(7-12,8-14)16-10/h2*14H,4-8H2,1-3H3,(H,13,15)/t2*11-,12+/m10/s1.
What are the key properties of (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
(1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 454.61 g/mol, XLogP of 1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide;(1S,5S)-5-(hydroxymethyl)-N,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 139145393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).