6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide

C28H29NO3 — CID 15986420

IUPAC6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(-c2ccc3cc(C(=O)NO)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H29NO3/c1-32-26-7-6-23(13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28)21-2-3-22-12-24(27(30)29-31)5-4-20(22)11-21/h2-7,11-13,17-19,31H,8-10,14-16H2,1H3,(H,29,30)
InChIKeyQLUZYUVPNBWFJT-UHFFFAOYSA-N
MW427.54 g/mol
LogP6.10
Rot. Bonds4

About 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide

6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide (PubChem CID 15986420) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide
PubChem CID15986420
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(-c2ccc3cc(C(=O)NO)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H29NO3/c1-32-26-7-6-23(13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28)21-2-3-22-12-24(27(30)29-31)5-4-20(22)11-21/h2-7,11-13,17-19,31H,8-10,14-16H2,1H3,(H,29,30)
InChIKeyQLUZYUVPNBWFJT-UHFFFAOYSA-N
XLogP6.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide (CID 15986420) is 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide is COc1ccc(-c2ccc3cc(C(=O)NO)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide?
The InChIKey is QLUZYUVPNBWFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-32-26-7-6-23(13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28)21-2-3-22-12-24(27(30)29-31)5-4-20(22)11-21/h2-7,11-13,17-19,31H,8-10,14-16H2,1H3,(H,29,30).
What are the key properties of 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide?
6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide has a molecular weight of 427.54 g/mol, XLogP of 6.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-adamantyl)-4-methoxyphenyl]-N-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 15986420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).