(Z)-N-(2,6-diethylphenyl)octadec-9-enamide

C28H47NO — CID 15743064

IUPAC(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C28H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27(30)29-28-25(5-2)22-21-23-26(28)6-3/h13-14,21-23H,4-12,15-20,24H2,1-3H3,(H,29,30)/b14-13-
InChIKeyRNRHGLUMOKYNIA-YPKPFQOOSA-N
MW413.69 g/mol
LogP8.79
Rot. Bonds18

About (Z)-N-(2,6-diethylphenyl)octadec-9-enamide

(Z)-N-(2,6-diethylphenyl)octadec-9-enamide (PubChem CID 15743064) has the molecular formula C28H47NO and a molecular weight of 413.69 g/mol. Its IUPAC name is (Z)-N-(2,6-diethylphenyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
PubChem CID15743064
Molecular FormulaC28H47NO
Molecular Weight413.69 g/mol
Exact Mass413.37
IUPAC Name(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C28H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27(30)29-28-25(5-2)22-21-23-26(28)6-3/h13-14,21-23H,4-12,15-20,24H2,1-3H3,(H,29,30)/b14-13-
InChIKeyRNRHGLUMOKYNIA-YPKPFQOOSA-N
XLogP8.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.69
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
CID 71684537
N-phenyldocos-13-enamide
CID 54224492
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-(2,6-diethylphenyl)-3-oxoheptanamide
CID 71337961
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
2-(octadec-9-enoylamino)benzoic acid
CID 54292093

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,6-diethylphenyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(2,6-diethylphenyl)octadec-9-enamide (CID 15743064) is (Z)-N-(2,6-diethylphenyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(2,6-diethylphenyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(2,6-diethylphenyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of (Z)-N-(2,6-diethylphenyl)octadec-9-enamide?
The InChIKey is RNRHGLUMOKYNIA-YPKPFQOOSA-N. The full InChI is InChI=1S/C28H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27(30)29-28-25(5-2)22-21-23-26(28)6-3/h13-14,21-23H,4-12,15-20,24H2,1-3H3,(H,29,30)/b14-13-.
What are the key properties of (Z)-N-(2,6-diethylphenyl)octadec-9-enamide?
(Z)-N-(2,6-diethylphenyl)octadec-9-enamide has a molecular weight of 413.69 g/mol, XLogP of 8.79, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-diethylphenyl)octadec-9-enamide is sourced from PubChem (CID 15743064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).