(4-hydroxyanilino) octadecanoate

C24H41NO3 — CID 174614786

IUPAC(4-hydroxyanilino) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)ONc1ccc(O)cc1
InChIInChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)28-25-22-18-20-23(26)21-19-22/h18-21,25-26H,2-17H2,1H3
InChIKeyPMIITSGXDFZNKP-UHFFFAOYSA-N
MW391.60 g/mol
LogP7.52
Rot. Bonds18

About (4-hydroxyanilino) octadecanoate

(4-hydroxyanilino) octadecanoate (PubChem CID 174614786) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is (4-hydroxyanilino) octadecanoate.

Molecular Properties

Compound Name(4-hydroxyanilino) octadecanoate
PubChem CID174614786
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC Name(4-hydroxyanilino) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)ONc1ccc(O)cc1
InChIInChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)28-25-22-18-20-23(26)21-19-22/h18-21,25-26H,2-17H2,1H3
InChIKeyPMIITSGXDFZNKP-UHFFFAOYSA-N
XLogP7.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.52
H-Bond Donors ≤ 52
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

(pyridin-3-ylamino) decanoate
CID 150161934
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
(2-methylanilino) hexanoate
CID 174905248
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
3-(4-hydroxyphenyl)propyl pentacosanoate
CID 100927949
2-(4-hydroxyphenyl)ethenyl tetradecanoate
CID 6710065
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyanilino) octadecanoate?
The IUPAC name of (4-hydroxyanilino) octadecanoate (CID 174614786) is (4-hydroxyanilino) octadecanoate.
What is the SMILES notation for (4-hydroxyanilino) octadecanoate?
The canonical SMILES for (4-hydroxyanilino) octadecanoate is CCCCCCCCCCCCCCCCCC(=O)ONc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyanilino) octadecanoate?
The InChIKey is PMIITSGXDFZNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)28-25-22-18-20-23(26)21-19-22/h18-21,25-26H,2-17H2,1H3.
What are the key properties of (4-hydroxyanilino) octadecanoate?
(4-hydroxyanilino) octadecanoate has a molecular weight of 391.60 g/mol, XLogP of 7.52, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyanilino) octadecanoate is sourced from PubChem (CID 174614786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).