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

C16H29NO3 — CID 102085546

IUPAC7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCCNC(=O)C12CCCC(CO)(C1)OC2(CC)CC
InChIInChI=1S/C16H29NO3/c1-4-10-17-13(19)15-9-7-8-14(11-15,12-18)20-16(15,5-2)6-3/h18H,4-12H2,1-3H3,(H,17,19)
InChIKeyHGDQDXGDASKGAX-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.39
Rot. Bonds6

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

7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 102085546) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID102085546
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCCCNC(=O)C12CCCC(CO)(C1)OC2(CC)CC
InChIInChI=1S/C16H29NO3/c1-4-10-17-13(19)15-9-7-8-14(11-15,12-18)20-16(15,5-2)6-3/h18H,4-12H2,1-3H3,(H,17,19)
InChIKeyHGDQDXGDASKGAX-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 7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of 7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide (CID 102085546) is 7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for 7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for 7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is CCCNC(=O)C12CCCC(CO)(C1)OC2(CC)CC.
What is the InChIKey of 7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is HGDQDXGDASKGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-10-17-13(19)15-9-7-8-14(11-15,12-18)20-16(15,5-2)6-3/h18H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide?
7,7-diethyl-5-(hydroxymethyl)-N-propyl-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 7,7-diethyl-5-(hydroxymethyl)-N-propyl-6-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 102085546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).