4-tert-butyl-N-nonylbenzamide

C20H33NO — CID 4642451

IUPAC4-tert-butyl-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H33NO/c1-5-6-7-8-9-10-11-16-21-19(22)17-12-14-18(15-13-17)20(2,3)4/h12-15H,5-11,16H2,1-4H3,(H,21,22)
InChIKeyDAMOCKLQJBJKEU-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.46
Rot. Bonds9

About 4-tert-butyl-N-nonylbenzamide

4-tert-butyl-N-nonylbenzamide (PubChem CID 4642451) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 4-tert-butyl-N-nonylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-nonylbenzamide
PubChem CID4642451
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name4-tert-butyl-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H33NO/c1-5-6-7-8-9-10-11-16-21-19(22)17-12-14-18(15-13-17)20(2,3)4/h12-15H,5-11,16H2,1-4H3,(H,21,22)
InChIKeyDAMOCKLQJBJKEU-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-nonylbenzamide 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-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
N-decyl-4-sulfanylbenzamide
CID 107032455
4-bromo-N-hexadecylbenzamide
CID 54791037
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
N-pentyl-4-(propylamino)benzamide
CID 62185567
4-bromo-N-pentylbenzamide
CID 4167913

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-nonylbenzamide?
The IUPAC name of 4-tert-butyl-N-nonylbenzamide (CID 4642451) is 4-tert-butyl-N-nonylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-nonylbenzamide?
The canonical SMILES for 4-tert-butyl-N-nonylbenzamide is CCCCCCCCCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-nonylbenzamide?
The InChIKey is DAMOCKLQJBJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-5-6-7-8-9-10-11-16-21-19(22)17-12-14-18(15-13-17)20(2,3)4/h12-15H,5-11,16H2,1-4H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-nonylbenzamide?
4-tert-butyl-N-nonylbenzamide has a molecular weight of 303.49 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-nonylbenzamide is sourced from PubChem (CID 4642451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).