1-hexylnaphthalene-2,6-dicarboxamide

C18H22N2O2 — CID 141060684

IUPAC1-hexylnaphthalene-2,6-dicarboxamide
SMILESCCCCCCc1c(C(N)=O)ccc2cc(C(N)=O)ccc12
InChIInChI=1S/C18H22N2O2/c1-2-3-4-5-6-15-14-9-8-13(17(19)21)11-12(14)7-10-16(15)18(20)22/h7-11H,2-6H2,1H3,(H2,19,21)(H2,20,22)
InChIKeyNIXHRRVOMPDYQT-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.16
Rot. Bonds7

About 1-hexylnaphthalene-2,6-dicarboxamide

1-hexylnaphthalene-2,6-dicarboxamide (PubChem CID 141060684) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-hexylnaphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name1-hexylnaphthalene-2,6-dicarboxamide
PubChem CID141060684
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-hexylnaphthalene-2,6-dicarboxamide
SMILESCCCCCCc1c(C(N)=O)ccc2cc(C(N)=O)ccc12
InChIInChI=1S/C18H22N2O2/c1-2-3-4-5-6-15-14-9-8-13(17(19)21)11-12(14)7-10-16(15)18(20)22/h7-11H,2-6H2,1H3,(H2,19,21)(H2,20,22)
InChIKeyNIXHRRVOMPDYQT-UHFFFAOYSA-N
XLogP3.16
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hexylnaphthalene-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-decylbenzene-1,4-dicarboxamide
CID 141297186
2,3-dihexyl-4-methylbenzamide
CID 154326325
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645
3-dodecoxynaphthalene-2,7-dicarboxamide
CID 86025040
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
iron;1-octylnaphthalene-2-carboxylic acid
CID 159193184
3-carbamoyl-2,6-dioctadecylbenzoic acid
CID 68723521
4-octylbenzamide;hydrochloride
CID 131740255
4-decyl-2-fluoro-3-methylbenzamide
CID 57359826
4-heptyl-2-octyl-3-(trifluoromethyl)benzamide
CID 57359737
8-ethyl-7-methylnaphthalene-2-carboxamide
CID 142518693
5,6-dihexylnaphthalen-2-ol
CID 67259351

Frequently Asked Questions

What is the IUPAC name of 1-hexylnaphthalene-2,6-dicarboxamide?
The IUPAC name of 1-hexylnaphthalene-2,6-dicarboxamide (CID 141060684) is 1-hexylnaphthalene-2,6-dicarboxamide.
What is the SMILES notation for 1-hexylnaphthalene-2,6-dicarboxamide?
The canonical SMILES for 1-hexylnaphthalene-2,6-dicarboxamide is CCCCCCc1c(C(N)=O)ccc2cc(C(N)=O)ccc12.
What is the InChIKey of 1-hexylnaphthalene-2,6-dicarboxamide?
The InChIKey is NIXHRRVOMPDYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-3-4-5-6-15-14-9-8-13(17(19)21)11-12(14)7-10-16(15)18(20)22/h7-11H,2-6H2,1H3,(H2,19,21)(H2,20,22).
What are the key properties of 1-hexylnaphthalene-2,6-dicarboxamide?
1-hexylnaphthalene-2,6-dicarboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylnaphthalene-2,6-dicarboxamide is sourced from PubChem (CID 141060684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).