Skip to content

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

C16H29NO3 — CID 102085549

Data last refreshed: (MolForge compound catalog, from PubChem)

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

Analyze 5-(hydroxymethyl)-N-methyl-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

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.