5-amino-N-hexyl-2,4-dimethylbenzamide

C15H24N2O — CID 102705178

IUPAC5-amino-N-hexyl-2,4-dimethylbenzamide
SMILESCCCCCCNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C15H24N2O/c1-4-5-6-7-8-17-15(18)13-10-14(16)12(3)9-11(13)2/h9-10H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyQLTXHJZKOUIROM-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.20
Rot. Bonds6

About 5-amino-N-hexyl-2,4-dimethylbenzamide

5-amino-N-hexyl-2,4-dimethylbenzamide (PubChem CID 102705178) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-amino-N-hexyl-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-hexyl-2,4-dimethylbenzamide
PubChem CID102705178
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-amino-N-hexyl-2,4-dimethylbenzamide
SMILESCCCCCCNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C15H24N2O/c1-4-5-6-7-8-17-15(18)13-10-14(16)12(3)9-11(13)2/h9-10H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyQLTXHJZKOUIROM-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
4-amino-3-methyl-N-octylbenzamide
CID 115565914
5-amino-N-hex-5-ynyl-2,4-dimethylbenzamide
CID 114158330
5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide
CID 102705947
2-amino-N-dodecylbenzamide
CID 54099396
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide
CID 102705958
2,4-diamino-N-hexylbenzamide
CID 61111728
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
3,4-diamino-N-dodecylbenzamide
CID 22411166
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-hexyl-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-hexyl-2,4-dimethylbenzamide (CID 102705178) is 5-amino-N-hexyl-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-hexyl-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-hexyl-2,4-dimethylbenzamide is CCCCCCNC(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-N-hexyl-2,4-dimethylbenzamide?
The InChIKey is QLTXHJZKOUIROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-6-7-8-17-15(18)13-10-14(16)12(3)9-11(13)2/h9-10H,4-8,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-N-hexyl-2,4-dimethylbenzamide?
5-amino-N-hexyl-2,4-dimethylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-hexyl-2,4-dimethylbenzamide is sourced from PubChem (CID 102705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).