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

C13H23NO3 — CID 102085541

IUPACN-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCNC(=O)C12CCCC(CO)(C1)OC2(C)C
InChIInChI=1S/C13H23NO3/c1-4-14-10(16)13-7-5-6-12(8-13,9-15)17-11(13,2)3/h15H,4-9H2,1-3H3,(H,14,16)
InChIKeyDHCSXWODICPBRL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.22
Rot. Bonds3

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

N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 102085541) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID102085541
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCNC(=O)C12CCCC(CO)(C1)OC2(C)C
InChIInChI=1S/C13H23NO3/c1-4-14-10(16)13-7-5-6-12(8-13,9-15)17-11(13,2)3/h15H,4-9H2,1-3H3,(H,14,16)
InChIKeyDHCSXWODICPBRL-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
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
Ethylamide of 7,7-dicyclopropyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1]-1-carboxylic acid [1n]
CID 139145410
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 N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (CID 102085541) is N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is CCNC(=O)C12CCCC(CO)(C1)OC2(C)C.
What is the InChIKey of N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is DHCSXWODICPBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-14-10(16)13-7-5-6-12(8-13,9-15)17-11(13,2)3/h15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(hydroxymethyl)-7,7-dimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 102085541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).