benzene-1,4-diol;hexadecanamide

C22H39NO3 — CID 19763166

IUPACbenzene-1,4-diol;hexadecanamide
SMILESCCCCCCCCCCCCCCCC(N)=O.Oc1ccc(O)cc1
InChIInChI=1S/C16H33NO.C6H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-5-1-2-6(8)4-3-5/h2-15H2,1H3,(H2,17,18);1-4,7-8H
InChIKeyHERGKTLRWGFIJM-UHFFFAOYSA-N
MW365.56 g/mol
LogP6.05
Rot. Bonds14

About benzene-1,4-diol;hexadecanamide

benzene-1,4-diol;hexadecanamide (PubChem CID 19763166) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is benzene-1,4-diol;hexadecanamide.

Molecular Properties

Compound Namebenzene-1,4-diol;hexadecanamide
PubChem CID19763166
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Namebenzene-1,4-diol;hexadecanamide
SMILESCCCCCCCCCCCCCCCC(N)=O.Oc1ccc(O)cc1
InChIInChI=1S/C16H33NO.C6H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-5-1-2-6(8)4-3-5/h2-15H2,1H3,(H2,17,18);1-4,7-8H
InChIKeyHERGKTLRWGFIJM-UHFFFAOYSA-N
XLogP6.05
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;hexadecanamide?
The IUPAC name of benzene-1,4-diol;hexadecanamide (CID 19763166) is benzene-1,4-diol;hexadecanamide.
What is the SMILES notation for benzene-1,4-diol;hexadecanamide?
The canonical SMILES for benzene-1,4-diol;hexadecanamide is CCCCCCCCCCCCCCCC(N)=O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;hexadecanamide?
The InChIKey is HERGKTLRWGFIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO.C6H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-5-1-2-6(8)4-3-5/h2-15H2,1H3,(H2,17,18);1-4,7-8H.
What are the key properties of benzene-1,4-diol;hexadecanamide?
benzene-1,4-diol;hexadecanamide has a molecular weight of 365.56 g/mol, XLogP of 6.05, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;hexadecanamide is sourced from PubChem (CID 19763166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).