5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide

C21H23NO3 — CID 100818175

IUPAC5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C21H23NO3/c23-17-4-2-1-3-16(17)22-20(24)18-5-6-19(25-18)21-10-13-7-14(11-21)9-15(8-13)12-21/h1-6,13-15,23H,7-12H2,(H,22,24)
InChIKeySQXYXCGITZJBCT-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.71
Rot. Bonds3

About 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide

5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide (PubChem CID 100818175) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
PubChem CID100818175
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C21H23NO3/c23-17-4-2-1-3-16(17)22-20(24)18-5-6-19(25-18)21-10-13-7-14(11-21)9-15(8-13)12-21/h1-6,13-15,23H,7-12H2,(H,22,24)
InChIKeySQXYXCGITZJBCT-UHFFFAOYSA-N
XLogP4.71
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
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 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide (CID 100818175) is 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide is O=C(Nc1ccccc1O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
The InChIKey is SQXYXCGITZJBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-17-4-2-1-3-16(17)22-20(24)18-5-6-19(25-18)21-10-13-7-14(11-21)9-15(8-13)12-21/h1-6,13-15,23H,7-12H2,(H,22,24).
What are the key properties of 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 100818175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).