4-(decanoylamino)-N-nonylbenzamide

C26H44N2O2 — CID 3464563

IUPAC4-(decanoylamino)-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1
InChIInChI=1S/C26H44N2O2/c1-3-5-7-9-11-13-15-17-25(29)28-24-20-18-23(19-21-24)26(30)27-22-16-14-12-10-8-6-4-2/h18-21H,3-17,22H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySYFFKDASVXWWGK-UHFFFAOYSA-N
MW416.65 g/mol
LogP7.25
Rot. Bonds18

About 4-(decanoylamino)-N-nonylbenzamide

4-(decanoylamino)-N-nonylbenzamide (PubChem CID 3464563) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is 4-(decanoylamino)-N-nonylbenzamide.

Molecular Properties

Compound Name4-(decanoylamino)-N-nonylbenzamide
PubChem CID3464563
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC Name4-(decanoylamino)-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1
InChIInChI=1S/C26H44N2O2/c1-3-5-7-9-11-13-15-17-25(29)28-24-20-18-23(19-21-24)26(30)27-22-16-14-12-10-8-6-4-2/h18-21H,3-17,22H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySYFFKDASVXWWGK-UHFFFAOYSA-N
XLogP7.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(butanoylamino)-N-hexylbenzamide
CID 3934901
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397

Frequently Asked Questions

What is the IUPAC name of 4-(decanoylamino)-N-nonylbenzamide?
The IUPAC name of 4-(decanoylamino)-N-nonylbenzamide (CID 3464563) is 4-(decanoylamino)-N-nonylbenzamide.
What is the SMILES notation for 4-(decanoylamino)-N-nonylbenzamide?
The canonical SMILES for 4-(decanoylamino)-N-nonylbenzamide is CCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1.
What is the InChIKey of 4-(decanoylamino)-N-nonylbenzamide?
The InChIKey is SYFFKDASVXWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O2/c1-3-5-7-9-11-13-15-17-25(29)28-24-20-18-23(19-21-24)26(30)27-22-16-14-12-10-8-6-4-2/h18-21H,3-17,22H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 4-(decanoylamino)-N-nonylbenzamide?
4-(decanoylamino)-N-nonylbenzamide has a molecular weight of 416.65 g/mol, XLogP of 7.25, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decanoylamino)-N-nonylbenzamide is sourced from PubChem (CID 3464563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).