N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide

C26H37N3O — CID 141482420

IUPACN-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C26H37N3O/c1-3-4-5-6-7-8-9-10-11-12-21-27-26(30)23-15-19-25(20-16-23)29-28-24-17-13-22(2)14-18-24/h13-20H,3-12,21H2,1-2H3,(H,27,30)/b29-28+
InChIKeyIPPSAXRCEMXIHL-ZQHSETAFSA-N
MW407.60 g/mol
LogP8.06
Rot. Bonds14

About N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide

N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide (PubChem CID 141482420) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide.

Molecular Properties

Compound NameN-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
PubChem CID141482420
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC NameN-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C26H37N3O/c1-3-4-5-6-7-8-9-10-11-12-21-27-26(30)23-15-19-25(20-16-23)29-28-24-17-13-22(2)14-18-24/h13-20H,3-12,21H2,1-2H3,(H,27,30)/b29-28+
InChIKeyIPPSAXRCEMXIHL-ZQHSETAFSA-N
XLogP8.06
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide
CID 141482421
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
4-bromo-N-hexadecylbenzamide
CID 54791037
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
N-hexyl-3,4-dimethylbenzamide
CID 4523484
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-hexyl-4-propylbenzamide
CID 70894310
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide?
The IUPAC name of N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide (CID 141482420) is N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide.
What is the SMILES notation for N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide?
The canonical SMILES for N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide is CCCCCCCCCCCCNC(=O)c1ccc(/N=N/c2ccc(C)cc2)cc1.
What is the InChIKey of N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide?
The InChIKey is IPPSAXRCEMXIHL-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H37N3O/c1-3-4-5-6-7-8-9-10-11-12-21-27-26(30)23-15-19-25(20-16-23)29-28-24-17-13-22(2)14-18-24/h13-20H,3-12,21H2,1-2H3,(H,27,30)/b29-28+.
What are the key properties of N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide?
N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide has a molecular weight of 407.60 g/mol, XLogP of 8.06, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide is sourced from PubChem (CID 141482420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).