(1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide

C17H27NO3 — CID 139145410

IUPAC(1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCNC(=O)[C@]12CCC[C@](CO)(C1)OC2(C1CC1)C1CC1
InChIInChI=1S/C17H27NO3/c1-2-18-14(20)16-9-3-8-15(10-16,11-19)21-17(16,12-4-5-12)13-6-7-13/h12-13,19H,2-11H2,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyQHZMAMQBPCQNPY-CVEARBPZSA-N
MW293.41 g/mol
LogP2.00
Rot. Bonds5

About (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide

(1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 139145410) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID139145410
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCNC(=O)[C@]12CCC[C@](CO)(C1)OC2(C1CC1)C1CC1
InChIInChI=1S/C17H27NO3/c1-2-18-14(20)16-9-3-8-15(10-16,11-19)21-17(16,12-4-5-12)13-6-7-13/h12-13,19H,2-11H2,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyQHZMAMQBPCQNPY-CVEARBPZSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5R)-7,7-dicyclopropyl-N-ethyl-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
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
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
7,7-dicyclopropyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 102085548
5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
CID 102085549

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide (CID 139145410) is (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide is CCNC(=O)[C@]12CCC[C@](CO)(C1)OC2(C1CC1)C1CC1.
What is the InChIKey of (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is QHZMAMQBPCQNPY-CVEARBPZSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-18-14(20)16-9-3-8-15(10-16,11-19)21-17(16,12-4-5-12)13-6-7-13/h12-13,19H,2-11H2,1H3,(H,18,20)/t15-,16+/m1/s1.
What are the key properties of (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide?
(1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-7,7-dicyclopropyl-N-ethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 139145410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).