2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide

C18H23NO3 — CID 139249629

IUPAC2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(O)cccc1O
InChIInChI=1S/C18H23NO3/c20-14-2-1-3-15(21)17(14)19-16(22)10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13,20-21H,4-10H2,(H,19,22)
InChIKeyOELXNMXWQKRUJC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.64
Rot. Bonds3

About 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide

2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide (PubChem CID 139249629) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
PubChem CID139249629
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(O)cccc1O
InChIInChI=1S/C18H23NO3/c20-14-2-1-3-15(21)17(14)19-16(22)10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13,20-21H,4-10H2,(H,19,22)
InChIKeyOELXNMXWQKRUJC-UHFFFAOYSA-N
XLogP3.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide (CID 139249629) is 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(O)cccc1O.
What is the InChIKey of 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide?
The InChIKey is OELXNMXWQKRUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-14-2-1-3-15(21)17(14)19-16(22)10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13,20-21H,4-10H2,(H,19,22).
What are the key properties of 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide?
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide is sourced from PubChem (CID 139249629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).