2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide

C18H22N2O3 — CID 141262153

IUPAC2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(C23CC4CC(CC(C4)C2)C3)c1O
InChIInChI=1S/C18H22N2O3/c19-16(22)12-1-2-13(17(20)23)15(21)14(12)18-6-9-3-10(7-18)5-11(4-9)8-18/h1-2,9-11,21H,3-8H2,(H2,19,22)(H2,20,23)
InChIKeyPTIZWLNETZKNGN-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.06
Rot. Bonds3

About 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide

2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide (PubChem CID 141262153) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide
PubChem CID141262153
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(C23CC4CC(CC(C4)C2)C3)c1O
InChIInChI=1S/C18H22N2O3/c19-16(22)12-1-2-13(17(20)23)15(21)14(12)18-6-9-3-10(7-18)5-11(4-9)8-18/h1-2,9-11,21H,3-8H2,(H2,19,22)(H2,20,23)
InChIKeyPTIZWLNETZKNGN-UHFFFAOYSA-N
XLogP2.06
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide (CID 141262153) is 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)c(C23CC4CC(CC(C4)C2)C3)c1O.
What is the InChIKey of 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is PTIZWLNETZKNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c19-16(22)12-1-2-13(17(20)23)15(21)14(12)18-6-9-3-10(7-18)5-11(4-9)8-18/h1-2,9-11,21H,3-8H2,(H2,19,22)(H2,20,23).
What are the key properties of 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide?
2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-3-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 141262153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).