3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide

C16H27NO3 — CID 110134891

IUPAC3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
SMILESC[C@H]1OCCC23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)CCO
InChIInChI=1S/C16H27NO3/c1-10-12-8-11-9-16(12,5-7-20-10)14(15(11,2)3)17-13(19)4-6-18/h10-12,14,18H,4-9H2,1-3H3,(H,17,19)/t10-,11-,12-,14-,16?/m1/s1
InChIKeyQIIUVGWHYFCEIC-FPVIDPCTSA-N
MW281.40 g/mol
LogP1.71
Rot. Bonds3

About 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide

3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide (PubChem CID 110134891) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
PubChem CID110134891
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
SMILESC[C@H]1OCCC23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)CCO
InChIInChI=1S/C16H27NO3/c1-10-12-8-11-9-16(12,5-7-20-10)14(15(11,2)3)17-13(19)4-6-18/h10-12,14,18H,4-9H2,1-3H3,(H,17,19)/t10-,11-,12-,14-,16?/m1/s1
InChIKeyQIIUVGWHYFCEIC-FPVIDPCTSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide 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 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The IUPAC name of 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide (CID 110134891) is 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The canonical SMILES for 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide is C[C@H]1OCCC23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)CCO.
What is the InChIKey of 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The InChIKey is QIIUVGWHYFCEIC-FPVIDPCTSA-N. The full InChI is InChI=1S/C16H27NO3/c1-10-12-8-11-9-16(12,5-7-20-10)14(15(11,2)3)17-13(19)4-6-18/h10-12,14,18H,4-9H2,1-3H3,(H,17,19)/t10-,11-,12-,14-,16?/m1/s1.
What are the key properties of 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide has a molecular weight of 281.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide is sourced from PubChem (CID 110134891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).