N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide

C12H19NO2 — CID 98051722

IUPACN-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
SMILESCC(=O)NC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2
InChIInChI=1S/C12H19NO2/c1-8(14)13-11-3-9-2-10(4-11)6-12(15,5-9)7-11/h9-10,15H,2-7H2,1H3,(H,13,14)/t9-,10-,11?,12?/m0/s1
InChIKeyQGQQCWHALQYFDK-JYBOHDQNSA-N
MW209.29 g/mol
LogP1.21
Rot. Bonds1

About N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide

N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide (PubChem CID 98051722) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
PubChem CID98051722
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
SMILESCC(=O)NC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2
InChIInChI=1S/C12H19NO2/c1-8(14)13-11-3-9-2-10(4-11)6-12(15,5-9)7-11/h9-10,15H,2-7H2,1H3,(H,13,14)/t9-,10-,11?,12?/m0/s1
InChIKeyQGQQCWHALQYFDK-JYBOHDQNSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide 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 N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide?
The IUPAC name of N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide (CID 98051722) is N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide.
What is the SMILES notation for N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide?
The canonical SMILES for N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide is CC(=O)NC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2.
What is the InChIKey of N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide?
The InChIKey is QGQQCWHALQYFDK-JYBOHDQNSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(14)13-11-3-9-2-10(4-11)6-12(15,5-9)7-11/h9-10,15H,2-7H2,1H3,(H,13,14)/t9-,10-,11?,12?/m0/s1.
What are the key properties of N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide?
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide is sourced from PubChem (CID 98051722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).