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

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Related Compounds

N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
tert-butyl N-(3-hydroxy-1-adamantyl)carbamate
CID 59134555
3-[(3-hydroxy-1-adamantyl)amino]butan-2-one
CID 118500804
2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide
CID 21063620
N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide
CID 10514046
(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide
CID 131914978
(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol
CID 159589364
N-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)acetamide
CID 142562212
4-[(3-hydroxy-1-adamantyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023903
adamantane-1,3-diol;2-methylprop-2-enoic acid
CID 53445274
(1R,4S)-N-(3-hydroxy-1-adamantyl)-6-oxobicyclo[2.2.1]heptane-2-carboxamide
CID 128664610

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).