N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide

C30H51N3O4 — CID 139759322

IUPACN-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NNC(=O)CCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C30H51N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29(36)32-33-30(37)21-18-17-19-28(35)31-26-22-24-27(34)25-23-26/h22-25,34H,2-21H2,1H3,(H,31,35)(H,32,36)(H,33,37)
InChIKeyXEFTWMXMPUYGJI-UHFFFAOYSA-N
MW517.76 g/mol
LogP7.30
Rot. Bonds22

About N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide

N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide (PubChem CID 139759322) has the molecular formula C30H51N3O4 and a molecular weight of 517.76 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
PubChem CID139759322
Molecular FormulaC30H51N3O4
Molecular Weight517.76 g/mol
Exact Mass517.39
IUPAC NameN-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NNC(=O)CCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C30H51N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29(36)32-33-30(37)21-18-17-19-28(35)31-26-22-24-27(34)25-23-26/h22-25,34H,2-21H2,1H3,(H,31,35)(H,32,36)(H,33,37)
InChIKeyXEFTWMXMPUYGJI-UHFFFAOYSA-N
XLogP7.30
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.76
LogP ≤ 57.30
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
N-(4-hydroxyphenyl)-8-(octadecylcarbamoylamino)octanamide
CID 59961331
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-chlorophenyl)tridecanamide
CID 4195215
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide?
The IUPAC name of N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide (CID 139759322) is N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide is CCCCCCCCCCCCCCCCCC(=O)NNC(=O)CCCCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide?
The InChIKey is XEFTWMXMPUYGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29(36)32-33-30(37)21-18-17-19-28(35)31-26-22-24-27(34)25-23-26/h22-25,34H,2-21H2,1H3,(H,31,35)(H,32,36)(H,33,37).
What are the key properties of N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide?
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide has a molecular weight of 517.76 g/mol, XLogP of 7.30, 22 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide is sourced from PubChem (CID 139759322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).