N-(2,6-dimethylphenyl)nonanamide

C17H27NO — CID 5112543

IUPACN-(2,6-dimethylphenyl)nonanamide
SMILESCCCCCCCCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H27NO/c1-4-5-6-7-8-9-13-16(19)18-17-14(2)11-10-12-15(17)3/h10-12H,4-9,13H2,1-3H3,(H,18,19)
InChIKeyZJCCEIHONURIFF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.99
Rot. Bonds8

About N-(2,6-dimethylphenyl)nonanamide

N-(2,6-dimethylphenyl)nonanamide (PubChem CID 5112543) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)nonanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)nonanamide
PubChem CID5112543
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2,6-dimethylphenyl)nonanamide
SMILESCCCCCCCCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H27NO/c1-4-5-6-7-8-9-13-16(19)18-17-14(2)11-10-12-15(17)3/h10-12H,4-9,13H2,1-3H3,(H,18,19)
InChIKeyZJCCEIHONURIFF-UHFFFAOYSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.99
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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)nonanamide?
The IUPAC name of N-(2,6-dimethylphenyl)nonanamide (CID 5112543) is N-(2,6-dimethylphenyl)nonanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)nonanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)nonanamide is CCCCCCCCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)nonanamide?
The InChIKey is ZJCCEIHONURIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-5-6-7-8-9-13-16(19)18-17-14(2)11-10-12-15(17)3/h10-12H,4-9,13H2,1-3H3,(H,18,19).
What are the key properties of N-(2,6-dimethylphenyl)nonanamide?
N-(2,6-dimethylphenyl)nonanamide has a molecular weight of 261.41 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)nonanamide is sourced from PubChem (CID 5112543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).