2-decylbenzene-1,4-dicarboxamide

C18H28N2O2 — CID 141297186

IUPAC2-decylbenzene-1,4-dicarboxamide
SMILESCCCCCCCCCCc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C18H28N2O2/c1-2-3-4-5-6-7-8-9-10-14-13-15(17(19)21)11-12-16(14)18(20)22/h11-13H,2-10H2,1H3,(H2,19,21)(H2,20,22)
InChIKeyUSQCIJZVDUZBFI-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.57
Rot. Bonds11

About 2-decylbenzene-1,4-dicarboxamide

2-decylbenzene-1,4-dicarboxamide (PubChem CID 141297186) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-decylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-decylbenzene-1,4-dicarboxamide
PubChem CID141297186
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-decylbenzene-1,4-dicarboxamide
SMILESCCCCCCCCCCc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C18H28N2O2/c1-2-3-4-5-6-7-8-9-10-14-13-15(17(19)21)11-12-16(14)18(20)22/h11-13H,2-10H2,1H3,(H2,19,21)(H2,20,22)
InChIKeyUSQCIJZVDUZBFI-UHFFFAOYSA-N
XLogP3.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
2-heptadecylterephthalic acid
CID 19597057
2-octylbenzamide
CID 11148995
1-hexylnaphthalene-2,6-dicarboxamide
CID 141060684
disodium;2-hexadecylterephthalate
CID 101326237
4-decyl-2-fluoro-3-methylbenzamide
CID 57359826
4-octylbenzamide;hydrochloride
CID 131740255
3,4-didodecylbenzoic acid
CID 71073316
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645
4-amino-2-hexadecylbenzoic acid
CID 167455079
3-carbamoyl-2,6-dioctadecylbenzoic acid
CID 68723521
2-butylbenzamide
CID 15468173

Frequently Asked Questions

What is the IUPAC name of 2-decylbenzene-1,4-dicarboxamide?
The IUPAC name of 2-decylbenzene-1,4-dicarboxamide (CID 141297186) is 2-decylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-decylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2-decylbenzene-1,4-dicarboxamide is CCCCCCCCCCc1cc(C(N)=O)ccc1C(N)=O.
What is the InChIKey of 2-decylbenzene-1,4-dicarboxamide?
The InChIKey is USQCIJZVDUZBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-4-5-6-7-8-9-10-14-13-15(17(19)21)11-12-16(14)18(20)22/h11-13H,2-10H2,1H3,(H2,19,21)(H2,20,22).
What are the key properties of 2-decylbenzene-1,4-dicarboxamide?
2-decylbenzene-1,4-dicarboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.57, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 141297186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).