4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide

C17H28FNO — CID 129054108

IUPAC4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide
SMILESCCCCC(CC)(CCC(=O)NC)C1=CC(F)=CCC1
InChIInChI=1S/C17H28FNO/c1-4-6-11-17(5-2,12-10-16(20)19-3)14-8-7-9-15(18)13-14/h9,13H,4-8,10-12H2,1-3H3,(H,19,20)
InChIKeyQVVJXZYORKDPJP-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.67
Rot. Bonds8

About 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide

4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide (PubChem CID 129054108) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide.

Molecular Properties

Compound Name4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide
PubChem CID129054108
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide
SMILESCCCCC(CC)(CCC(=O)NC)C1=CC(F)=CCC1
InChIInChI=1S/C17H28FNO/c1-4-6-11-17(5-2,12-10-16(20)19-3)14-8-7-9-15(18)13-14/h9,13H,4-8,10-12H2,1-3H3,(H,19,20)
InChIKeyQVVJXZYORKDPJP-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]hexadecanamide
CID 85426238
5-fluoro-3-(5-methylundecan-5-yl)-1H-pyridin-2-one
CID 129093730
6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide
CID 154665755
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]tetradecanamide
CID 91376598
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]octadecanamide
CID 91402828
(3E,5Z)-2-(cyclohexen-1-yl)-2-[3-(ethylamino)propyl]-3,4-dimethyl-N-(2,2,2-trifluoroethyl)octa-3,5,7-trienamide
CID 141849327
(3E,5Z)-N-(2,2-difluoroethyl)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-hexyl-3-methylocta-3,5,7-trienamide
CID 141849595
N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]hexadecanamide
CID 11179990
N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide
CID 57169967
4-(4,4-dimethylcyclopenten-1-yl)-N-methylcyclohexane-1-carboxamide
CID 57750804
N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide
CID 67628391
N-methyl-2-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)acetamide
CID 67980786

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide?
The IUPAC name of 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide (CID 129054108) is 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide.
What is the SMILES notation for 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide?
The canonical SMILES for 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide is CCCCC(CC)(CCC(=O)NC)C1=CC(F)=CCC1.
What is the InChIKey of 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide?
The InChIKey is QVVJXZYORKDPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-4-6-11-17(5-2,12-10-16(20)19-3)14-8-7-9-15(18)13-14/h9,13H,4-8,10-12H2,1-3H3,(H,19,20).
What are the key properties of 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide?
4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide has a molecular weight of 281.41 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methyloctanamide is sourced from PubChem (CID 129054108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).