4-ethyl-N,N-dihexylbenzamide

C21H35NO — CID 533235

IUPAC4-ethyl-N,N-dihexylbenzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C21H35NO/c1-4-7-9-11-17-22(18-12-10-8-5-2)21(23)20-15-13-19(6-3)14-16-20/h13-16H,4-12,17-18H2,1-3H3
InChIKeyAZVCSSVCQAOQAZ-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.85
Rot. Bonds12

About 4-ethyl-N,N-dihexylbenzamide

4-ethyl-N,N-dihexylbenzamide (PubChem CID 533235) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is 4-ethyl-N,N-dihexylbenzamide.

Molecular Properties

Compound Name4-ethyl-N,N-dihexylbenzamide
PubChem CID533235
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name4-ethyl-N,N-dihexylbenzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C21H35NO/c1-4-7-9-11-17-22(18-12-10-8-5-2)21(23)20-15-13-19(6-3)14-16-20/h13-16H,4-12,17-18H2,1-3H3
InChIKeyAZVCSSVCQAOQAZ-UHFFFAOYSA-N
XLogP5.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
4-amino-N,N-didodecylbenzamide
CID 5077826
4-bromo-N,N-dipentylbenzamide
CID 4599077
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
4-(didodecylcarbamoyl)benzenesulfonyl fluoride
CID 126642663
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol
CID 142267477

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dihexylbenzamide?
The IUPAC name of 4-ethyl-N,N-dihexylbenzamide (CID 533235) is 4-ethyl-N,N-dihexylbenzamide.
What is the SMILES notation for 4-ethyl-N,N-dihexylbenzamide?
The canonical SMILES for 4-ethyl-N,N-dihexylbenzamide is CCCCCCN(CCCCCC)C(=O)c1ccc(CC)cc1.
What is the InChIKey of 4-ethyl-N,N-dihexylbenzamide?
The InChIKey is AZVCSSVCQAOQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-4-7-9-11-17-22(18-12-10-8-5-2)21(23)20-15-13-19(6-3)14-16-20/h13-16H,4-12,17-18H2,1-3H3.
What are the key properties of 4-ethyl-N,N-dihexylbenzamide?
4-ethyl-N,N-dihexylbenzamide has a molecular weight of 317.52 g/mol, XLogP of 5.85, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dihexylbenzamide is sourced from PubChem (CID 533235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).