N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide

C30H52N2O3 — CID 59961397

IUPACN-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C30H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-29(34)31-26-19-16-18-21-30(35)32-27-22-24-28(33)25-23-27/h22-25,33H,2-21,26H2,1H3,(H,31,34)(H,32,35)
InChIKeyHFUQJEPDNWLCKV-UHFFFAOYSA-N
MW488.76 g/mol
LogP8.27
Rot. Bonds23

About N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide

N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide (PubChem CID 59961397) has the molecular formula C30H52N2O3 and a molecular weight of 488.76 g/mol. Its IUPAC name is N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide.

Molecular Properties

Compound NameN-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
PubChem CID59961397
Molecular FormulaC30H52N2O3
Molecular Weight488.76 g/mol
Exact Mass488.40
IUPAC NameN-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C30H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-29(34)31-26-19-16-18-21-30(35)32-27-22-24-28(33)25-23-27/h22-25,33H,2-21,26H2,1H3,(H,31,34)(H,32,35)
InChIKeyHFUQJEPDNWLCKV-UHFFFAOYSA-N
XLogP8.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.76
LogP ≤ 58.27
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'}

Analyze N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-(4-hydroxyphenyl)-8-(octadecylcarbamoylamino)octanamide
CID 59961331
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide
CID 101032616
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide?
The IUPAC name of N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide (CID 59961397) is N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide.
What is the SMILES notation for N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide?
The canonical SMILES for N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide?
The InChIKey is HFUQJEPDNWLCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-29(34)31-26-19-16-18-21-30(35)32-27-22-24-28(33)25-23-27/h22-25,33H,2-21,26H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide?
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide has a molecular weight of 488.76 g/mol, XLogP of 8.27, 23 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide is sourced from PubChem (CID 59961397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).