4-(hydroperoxymethyl)-N-octadecylbenzamide

C26H45NO3 — CID 54494073

IUPAC4-(hydroperoxymethyl)-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccc(COO)cc1
InChIInChI=1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-26(28)25-20-18-24(19-21-25)23-30-29/h18-21,29H,2-17,22-23H2,1H3,(H,27,28)
InChIKeyXXVBFRHFYBGIHM-UHFFFAOYSA-N
MW419.65 g/mol
LogP7.67
Rot. Bonds20

About 4-(hydroperoxymethyl)-N-octadecylbenzamide

4-(hydroperoxymethyl)-N-octadecylbenzamide (PubChem CID 54494073) has the molecular formula C26H45NO3 and a molecular weight of 419.65 g/mol. Its IUPAC name is 4-(hydroperoxymethyl)-N-octadecylbenzamide.

Molecular Properties

Compound Name4-(hydroperoxymethyl)-N-octadecylbenzamide
PubChem CID54494073
Molecular FormulaC26H45NO3
Molecular Weight419.65 g/mol
Exact Mass419.34
IUPAC Name4-(hydroperoxymethyl)-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccc(COO)cc1
InChIInChI=1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-26(28)25-20-18-24(19-21-25)23-30-29/h18-21,29H,2-17,22-23H2,1H3,(H,27,28)
InChIKeyXXVBFRHFYBGIHM-UHFFFAOYSA-N
XLogP7.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.65
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-(hydroperoxymethyl)-N-octadecylbenzamide 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

4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
N-decyl-4-hydroxybenzamide
CID 15277871
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
N-pentyl-4-propylbenzamide
CID 70894308
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
CID 131885807
CID 131885807
4-methoxy-N-nonylbenzamide
CID 3557385
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-hexyl-4-methoxy(11C)benzamide
CID 177422178

Frequently Asked Questions

What is the IUPAC name of 4-(hydroperoxymethyl)-N-octadecylbenzamide?
The IUPAC name of 4-(hydroperoxymethyl)-N-octadecylbenzamide (CID 54494073) is 4-(hydroperoxymethyl)-N-octadecylbenzamide.
What is the SMILES notation for 4-(hydroperoxymethyl)-N-octadecylbenzamide?
The canonical SMILES for 4-(hydroperoxymethyl)-N-octadecylbenzamide is CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(COO)cc1.
What is the InChIKey of 4-(hydroperoxymethyl)-N-octadecylbenzamide?
The InChIKey is XXVBFRHFYBGIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-26(28)25-20-18-24(19-21-25)23-30-29/h18-21,29H,2-17,22-23H2,1H3,(H,27,28).
What are the key properties of 4-(hydroperoxymethyl)-N-octadecylbenzamide?
4-(hydroperoxymethyl)-N-octadecylbenzamide has a molecular weight of 419.65 g/mol, XLogP of 7.67, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroperoxymethyl)-N-octadecylbenzamide is sourced from PubChem (CID 54494073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).