N,N'-bis(4-hydroxyphenyl)hexanediamide

C18H20N2O4 — CID 13277852

IUPACN,N'-bis(4-hydroxyphenyl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc(O)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C18H20N2O4/c21-15-9-5-13(6-10-15)19-17(23)3-1-2-4-18(24)20-14-7-11-16(22)12-8-14/h5-12,21-22H,1-4H2,(H,19,23)(H,20,24)
InChIKeyOGQBMXHOMRAMAK-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.24
Rot. Bonds7

About N,N'-bis(4-hydroxyphenyl)hexanediamide

N,N'-bis(4-hydroxyphenyl)hexanediamide (PubChem CID 13277852) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N,N'-bis(4-hydroxyphenyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(4-hydroxyphenyl)hexanediamide
PubChem CID13277852
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN,N'-bis(4-hydroxyphenyl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc(O)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C18H20N2O4/c21-15-9-5-13(6-10-15)19-17(23)3-1-2-4-18(24)20-14-7-11-16(22)12-8-14/h5-12,21-22H,1-4H2,(H,19,23)(H,20,24)
InChIKeyOGQBMXHOMRAMAK-UHFFFAOYSA-N
XLogP3.24
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N,N'-bis(4-hydroxyphenyl)hexanediamide?
The IUPAC name of N,N'-bis(4-hydroxyphenyl)hexanediamide (CID 13277852) is N,N'-bis(4-hydroxyphenyl)hexanediamide.
What is the SMILES notation for N,N'-bis(4-hydroxyphenyl)hexanediamide?
The canonical SMILES for N,N'-bis(4-hydroxyphenyl)hexanediamide is O=C(CCCCC(=O)Nc1ccc(O)cc1)Nc1ccc(O)cc1.
What is the InChIKey of N,N'-bis(4-hydroxyphenyl)hexanediamide?
The InChIKey is OGQBMXHOMRAMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-15-9-5-13(6-10-15)19-17(23)3-1-2-4-18(24)20-14-7-11-16(22)12-8-14/h5-12,21-22H,1-4H2,(H,19,23)(H,20,24).
What are the key properties of N,N'-bis(4-hydroxyphenyl)hexanediamide?
N,N'-bis(4-hydroxyphenyl)hexanediamide has a molecular weight of 328.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-hydroxyphenyl)hexanediamide is sourced from PubChem (CID 13277852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).