2,3-dihexyl-4-methylbenzamide

C20H33NO — CID 154326325

IUPAC2,3-dihexyl-4-methylbenzamide
SMILESCCCCCCc1c(C)ccc(C(N)=O)c1CCCCCC
InChIInChI=1S/C20H33NO/c1-4-6-8-10-12-17-16(3)14-15-19(20(21)22)18(17)13-11-9-7-5-2/h14-15H,4-13H2,1-3H3,(H2,21,22)
InChIKeyLQEDYFIQIXJOCJ-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.34
Rot. Bonds11

About 2,3-dihexyl-4-methylbenzamide

2,3-dihexyl-4-methylbenzamide (PubChem CID 154326325) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 2,3-dihexyl-4-methylbenzamide.

Molecular Properties

Compound Name2,3-dihexyl-4-methylbenzamide
PubChem CID154326325
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name2,3-dihexyl-4-methylbenzamide
SMILESCCCCCCc1c(C)ccc(C(N)=O)c1CCCCCC
InChIInChI=1S/C20H33NO/c1-4-6-8-10-12-17-16(3)14-15-19(20(21)22)18(17)13-11-9-7-5-2/h14-15H,4-13H2,1-3H3,(H2,21,22)
InChIKeyLQEDYFIQIXJOCJ-UHFFFAOYSA-N
XLogP5.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.34
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

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2-nonyl-3-pentylterephthalic acid
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2,3-dihexadecylterephthalic acid
CID 70135464
3,4-dimethyl-2-propylbenzamide
CID 154390636
3-heptadecyl-4-methylphthalic acid
CID 69470656
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
4-heptyl-2-octyl-3-(trifluoromethyl)benzamide
CID 57359737
1-hexylnaphthalene-2,6-dicarboxamide
CID 141060684
3-chloro-4-methyl-2-propylbenzamide
CID 141280601
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzene-1,3-dicarboxamide
CID 175126140

Frequently Asked Questions

What is the IUPAC name of 2,3-dihexyl-4-methylbenzamide?
The IUPAC name of 2,3-dihexyl-4-methylbenzamide (CID 154326325) is 2,3-dihexyl-4-methylbenzamide.
What is the SMILES notation for 2,3-dihexyl-4-methylbenzamide?
The canonical SMILES for 2,3-dihexyl-4-methylbenzamide is CCCCCCc1c(C)ccc(C(N)=O)c1CCCCCC.
What is the InChIKey of 2,3-dihexyl-4-methylbenzamide?
The InChIKey is LQEDYFIQIXJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-6-8-10-12-17-16(3)14-15-19(20(21)22)18(17)13-11-9-7-5-2/h14-15H,4-13H2,1-3H3,(H2,21,22).
What are the key properties of 2,3-dihexyl-4-methylbenzamide?
2,3-dihexyl-4-methylbenzamide has a molecular weight of 303.49 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihexyl-4-methylbenzamide is sourced from PubChem (CID 154326325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).