2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide

C15H23NO2 — CID 9207685

IUPAC2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C15H23NO2/c1-2-3-16-13(17)9-14-5-11-4-12(6-14)8-15(18,7-11)10-14/h2,11-12,18H,1,3-10H2,(H,16,17)/t11-,12+,14?,15?
InChIKeyGSMLJWDKLQFZDQ-AVJIGQEQSA-N
MW249.35 g/mol
LogP2.01
Rot. Bonds4

About 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide

2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide (PubChem CID 9207685) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide
PubChem CID9207685
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C15H23NO2/c1-2-3-16-13(17)9-14-5-11-4-12(6-14)8-15(18,7-11)10-14/h2,11-12,18H,1,3-10H2,(H,16,17)/t11-,12+,14?,15?
InChIKeyGSMLJWDKLQFZDQ-AVJIGQEQSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S,7R)-3-prop-2-enyladamantan-1-ol
CID 102058393
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24550355
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-(1-adamantyl)-N-(prop-2-enylcarbamothioyl)acetamide
CID 3500491
3-(ethenoxymethyl)adamantan-1-ol
CID 134309633
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 17421165
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9270327
2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide
CID 51117266
3-[(5R,7R)-3-hydroxy-1-adamantyl]propanoic acid
CID 6928724
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate
CID 9127609
2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 24620546

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide (CID 9207685) is 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide is C=CCNC(=O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide?
The InChIKey is GSMLJWDKLQFZDQ-AVJIGQEQSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-16-13(17)9-14-5-11-4-12(6-14)8-15(18,7-11)10-14/h2,11-12,18H,1,3-10H2,(H,16,17)/t11-,12+,14?,15?.
What are the key properties of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide?
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide has a molecular weight of 249.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 9207685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).