N-(8-phenyloct-2-enyl)acetamide

C16H23NO — CID 123336500

IUPACN-(8-phenyloct-2-enyl)acetamide
SMILESCC(=O)NCC=CCCCCCc1ccccc1
InChIInChI=1S/C16H23NO/c1-15(18)17-14-10-5-3-2-4-7-11-16-12-8-6-9-13-16/h5-6,8-10,12-13H,2-4,7,11,14H2,1H3,(H,17,18)
InChIKeyYVLZKDKBJRJALL-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.48
Rot. Bonds8

About N-(8-phenyloct-2-enyl)acetamide

N-(8-phenyloct-2-enyl)acetamide (PubChem CID 123336500) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(8-phenyloct-2-enyl)acetamide.

Molecular Properties

Compound NameN-(8-phenyloct-2-enyl)acetamide
PubChem CID123336500
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(8-phenyloct-2-enyl)acetamide
SMILESCC(=O)NCC=CCCCCCc1ccccc1
InChIInChI=1S/C16H23NO/c1-15(18)17-14-10-5-3-2-4-7-11-16-12-8-6-9-13-16/h5-6,8-10,12-13H,2-4,7,11,14H2,1H3,(H,17,18)
InChIKeyYVLZKDKBJRJALL-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.48
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-(9-phenylnon-2-enyl)formamide
CID 123527841
(E)-N-methyl-11-phenylundec-2-enamide
CID 118028584
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
N-[(E)-pentadec-2-enyl]acetamide
CID 118028495
9-phenylnon-2-enamide
CID 123957146
(E)-2-methyl-8-phenyloct-2-enoic acid
CID 66912442
(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid
CID 67655950
[(8E,11E)-pentadeca-8,11-dienyl]benzene
CID 173434381
dodec-4-enylbenzene
CID 54018856
heptadec-4-enylbenzene
CID 173163087
methyl (E)-8-phenyloct-4-enoate
CID 167272629

Frequently Asked Questions

What is the IUPAC name of N-(8-phenyloct-2-enyl)acetamide?
The IUPAC name of N-(8-phenyloct-2-enyl)acetamide (CID 123336500) is N-(8-phenyloct-2-enyl)acetamide.
What is the SMILES notation for N-(8-phenyloct-2-enyl)acetamide?
The canonical SMILES for N-(8-phenyloct-2-enyl)acetamide is CC(=O)NCC=CCCCCCc1ccccc1.
What is the InChIKey of N-(8-phenyloct-2-enyl)acetamide?
The InChIKey is YVLZKDKBJRJALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(18)17-14-10-5-3-2-4-7-11-16-12-8-6-9-13-16/h5-6,8-10,12-13H,2-4,7,11,14H2,1H3,(H,17,18).
What are the key properties of N-(8-phenyloct-2-enyl)acetamide?
N-(8-phenyloct-2-enyl)acetamide has a molecular weight of 245.37 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-phenyloct-2-enyl)acetamide is sourced from PubChem (CID 123336500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).