N-hexyl-3,4-dimethylbenzamide

C15H23NO — CID 4523484

IUPACN-hexyl-3,4-dimethylbenzamide
SMILESCCCCCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO/c1-4-5-6-7-10-16-15(17)14-9-8-12(2)13(3)11-14/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)
InChIKeySYQBSIYIPMHWAH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.61
Rot. Bonds6

About N-hexyl-3,4-dimethylbenzamide

N-hexyl-3,4-dimethylbenzamide (PubChem CID 4523484) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-hexyl-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-hexyl-3,4-dimethylbenzamide
PubChem CID4523484
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-hexyl-3,4-dimethylbenzamide
SMILESCCCCCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO/c1-4-5-6-7-10-16-15(17)14-9-8-12(2)13(3)11-14/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)
InChIKeySYQBSIYIPMHWAH-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methyl-N-octylbenzamide
CID 115565914
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
3,4-diamino-N-dodecylbenzamide
CID 22411166
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3,4-difluoro-N-heptylbenzamide
CID 91717416
[2-oxo-2-(pentylamino)ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 8574802
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3,4-dimethylbenzamide?
The IUPAC name of N-hexyl-3,4-dimethylbenzamide (CID 4523484) is N-hexyl-3,4-dimethylbenzamide.
What is the SMILES notation for N-hexyl-3,4-dimethylbenzamide?
The canonical SMILES for N-hexyl-3,4-dimethylbenzamide is CCCCCCNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-hexyl-3,4-dimethylbenzamide?
The InChIKey is SYQBSIYIPMHWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-6-7-10-16-15(17)14-9-8-12(2)13(3)11-14/h8-9,11H,4-7,10H2,1-3H3,(H,16,17).
What are the key properties of N-hexyl-3,4-dimethylbenzamide?
N-hexyl-3,4-dimethylbenzamide has a molecular weight of 233.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3,4-dimethylbenzamide is sourced from PubChem (CID 4523484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).