N-[2-(4-hydroxyanilino)ethyl]octadecanamide

C26H46N2O2 — CID 54485525

IUPACN-[2-(4-hydroxyanilino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCNc1ccc(O)cc1
InChIInChI=1S/C26H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-23-22-27-24-18-20-25(29)21-19-24/h18-21,27,29H,2-17,22-23H2,1H3,(H,28,30)
InChIKeyXSADLLACTISZPF-UHFFFAOYSA-N
MW418.67 g/mol
LogP7.18
Rot. Bonds20

About N-[2-(4-hydroxyanilino)ethyl]octadecanamide

N-[2-(4-hydroxyanilino)ethyl]octadecanamide (PubChem CID 54485525) has the molecular formula C26H46N2O2 and a molecular weight of 418.67 g/mol. Its IUPAC name is N-[2-(4-hydroxyanilino)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyanilino)ethyl]octadecanamide
PubChem CID54485525
Molecular FormulaC26H46N2O2
Molecular Weight418.67 g/mol
Exact Mass418.36
IUPAC NameN-[2-(4-hydroxyanilino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCNc1ccc(O)cc1
InChIInChI=1S/C26H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-23-22-27-24-18-20-25(29)21-19-24/h18-21,27,29H,2-17,22-23H2,1H3,(H,28,30)
InChIKeyXSADLLACTISZPF-UHFFFAOYSA-N
XLogP7.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 57.18
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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Related Compounds

N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
N-(3-anilinopropyl)nonanamide
CID 56586452
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-(4-hydroxyphenyl)-8-(octadecylcarbamoylamino)octanamide
CID 59961331
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide
CID 19594231

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyanilino)ethyl]octadecanamide?
The IUPAC name of N-[2-(4-hydroxyanilino)ethyl]octadecanamide (CID 54485525) is N-[2-(4-hydroxyanilino)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(4-hydroxyanilino)ethyl]octadecanamide?
The canonical SMILES for N-[2-(4-hydroxyanilino)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCNc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyanilino)ethyl]octadecanamide?
The InChIKey is XSADLLACTISZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-23-22-27-24-18-20-25(29)21-19-24/h18-21,27,29H,2-17,22-23H2,1H3,(H,28,30).
What are the key properties of N-[2-(4-hydroxyanilino)ethyl]octadecanamide?
N-[2-(4-hydroxyanilino)ethyl]octadecanamide has a molecular weight of 418.67 g/mol, XLogP of 7.18, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyanilino)ethyl]octadecanamide is sourced from PubChem (CID 54485525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).