3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide

C21H27NO2 — CID 4877851

IUPAC3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H27NO2/c23-19(22-18-7-3-5-16-4-1-2-6-17(16)18)20-9-14-8-15(10-20)12-21(24,11-14)13-20/h1-2,4,6,14-15,18,24H,3,5,7-13H2,(H,22,23)
InChIKeyGVLXTBMWZDIKCU-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.51
Rot. Bonds2

About 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide

3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide (PubChem CID 4877851) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide
PubChem CID4877851
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H27NO2/c23-19(22-18-7-3-5-16-4-1-2-6-17(16)18)20-9-14-8-15(10-20)12-21(24,11-14)13-20/h1-2,4,6,14-15,18,24H,3,5,7-13H2,(H,22,23)
InChIKeyGVLXTBMWZDIKCU-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide (CID 4877851) is 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide is O=C(NC1CCCc2ccccc21)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide?
The InChIKey is GVLXTBMWZDIKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c23-19(22-18-7-3-5-16-4-1-2-6-17(16)18)20-9-14-8-15(10-20)12-21(24,11-14)13-20/h1-2,4,6,14-15,18,24H,3,5,7-13H2,(H,22,23).
What are the key properties of 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide?
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)adamantane-1-carboxamide is sourced from PubChem (CID 4877851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).