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

C16H29NO3 — CID 102085549

IUPAC5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCCC1(CCC)OC2(CO)CCCC1(C(=O)NC)C2
InChIInChI=1S/C16H29NO3/c1-4-7-16(8-5-2)15(13(19)17-3)10-6-9-14(11-15,12-18)20-16/h18H,4-12H2,1-3H3,(H,17,19)
InChIKeyFZSYROGPAOGJIX-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.39
Rot. Bonds6

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

5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 102085549) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID102085549
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCCC1(CCC)OC2(CO)CCCC1(C(=O)NC)C2
InChIInChI=1S/C16H29NO3/c1-4-7-16(8-5-2)15(13(19)17-3)10-6-9-14(11-15,12-18)20-16/h18H,4-12H2,1-3H3,(H,17,19)
InChIKeyFZSYROGPAOGJIX-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.39
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
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

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (CID 102085549) is 5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is CCCC1(CCC)OC2(CO)CCCC1(C(=O)NC)C2.
What is the InChIKey of 5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is FZSYROGPAOGJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-7-16(8-5-2)15(13(19)17-3)10-6-9-14(11-15,12-18)20-16/h18H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-methyl-7,7-dipropyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 102085549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).