4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide

C21H23NO2 — CID 118731621

IUPAC4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide
SMILESO=C(NO)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2c1
InChIInChI=1S/C21H23NO2/c23-20(22-24)17-8-16-3-1-2-4-18(16)19(9-17)21-10-13-5-14(11-21)7-15(6-13)12-21/h1-4,8-9,13-15,24H,5-7,10-12H2,(H,22,23)
InChIKeyQLKJTEXMYRSMSW-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.43
Rot. Bonds2

About 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide

4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide (PubChem CID 118731621) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide
PubChem CID118731621
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide
SMILESO=C(NO)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2c1
InChIInChI=1S/C21H23NO2/c23-20(22-24)17-8-16-3-1-2-4-18(16)19(9-17)21-10-13-5-14(11-21)7-15(6-13)12-21/h1-4,8-9,13-15,24H,5-7,10-12H2,(H,22,23)
InChIKeyQLKJTEXMYRSMSW-UHFFFAOYSA-N
XLogP4.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide (CID 118731621) is 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide is O=C(NO)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2c1.
What is the InChIKey of 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide?
The InChIKey is QLKJTEXMYRSMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c23-20(22-24)17-8-16-3-1-2-4-18(16)19(9-17)21-10-13-5-14(11-21)7-15(6-13)12-21/h1-4,8-9,13-15,24H,5-7,10-12H2,(H,22,23).
What are the key properties of 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide?
4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-N-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 118731621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).