3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide

C19H25NO2 — CID 4877155

IUPAC3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-13(16-5-3-2-4-6-16)20-17(21)18-8-14-7-15(9-18)11-19(22,10-14)12-18/h2-6,13-15,22H,7-12H2,1H3,(H,20,21)
InChIKeyHHLDMUMJLOOJPG-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.20
Rot. Bonds3

About 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide

3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide (PubChem CID 4877155) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide
PubChem CID4877155
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-13(16-5-3-2-4-6-16)20-17(21)18-8-14-7-15(9-18)11-19(22,10-14)12-18/h2-6,13-15,22H,7-12H2,1H3,(H,20,21)
InChIKeyHHLDMUMJLOOJPG-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide (CID 4877155) is 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide?
The InChIKey is HHLDMUMJLOOJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13(16-5-3-2-4-6-16)20-17(21)18-8-14-7-15(9-18)11-19(22,10-14)12-18/h2-6,13-15,22H,7-12H2,1H3,(H,20,21).
What are the key properties of 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide?
3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 4877155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).