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

C17H31NO3 — CID 139145409

IUPAC(1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCCC1(CCC)O[C@]2(CO)CCC[C@@]1(C(=O)NCC)C2
InChIInChI=1S/C17H31NO3/c1-4-8-17(9-5-2)16(14(20)18-6-3)11-7-10-15(12-16,13-19)21-17/h19H,4-13H2,1-3H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyGBBCUHJBJTYHLS-CVEARBPZSA-N
MW297.44 g/mol
LogP2.78
Rot. Bonds7

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

(1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 139145409) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is (1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID139145409
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name(1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCCC1(CCC)O[C@]2(CO)CCC[C@@]1(C(=O)NCC)C2
InChIInChI=1S/C17H31NO3/c1-4-8-17(9-5-2)16(14(20)18-6-3)11-7-10-15(12-16,13-19)21-17/h19H,4-13H2,1-3H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyGBBCUHJBJTYHLS-CVEARBPZSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-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 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-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-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of (1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (CID 139145409) is (1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for (1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for (1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is CCCC1(CCC)O[C@]2(CO)CCC[C@@]1(C(=O)NCC)C2.
What is the InChIKey of (1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is GBBCUHJBJTYHLS-CVEARBPZSA-N. The full InChI is InChI=1S/C17H31NO3/c1-4-8-17(9-5-2)16(14(20)18-6-3)11-7-10-15(12-16,13-19)21-17/h19H,4-13H2,1-3H3,(H,18,20)/t15-,16+/m1/s1.
What are the key properties of (1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
(1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-ethyl-5-(hydroxymethyl)-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 139145409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).