(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C26H36FNO2 — CID 176773559

IUPAC(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC2CCC(F)CC2)C(C)(C)CCC1=O
InChIInChI=1S/C26H36FNO2/c1-18(9-14-23-20(3)24(29)15-16-26(23,4)5)7-6-8-19(2)17-25(30)28-22-12-10-21(27)11-13-22/h6-9,14,17,21-22H,10-13,15-16H2,1-5H3,(H,28,30)/b8-6+,14-9+,18-7+,19-17+
InChIKeyLFFNEDIZBZDUPT-KFJFTADJSA-N
MW413.58 g/mol
LogP6.09
Rot. Bonds6

About (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide

(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 176773559) has the molecular formula C26H36FNO2 and a molecular weight of 413.58 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID176773559
Molecular FormulaC26H36FNO2
Molecular Weight413.58 g/mol
Exact Mass413.27
IUPAC Name(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC2CCC(F)CC2)C(C)(C)CCC1=O
InChIInChI=1S/C26H36FNO2/c1-18(9-14-23-20(3)24(29)15-16-26(23,4)5)7-6-8-19(2)17-25(30)28-22-12-10-21(27)11-13-22/h6-9,14,17,21-22H,10-13,15-16H2,1-5H3,(H,28,30)/b8-6+,14-9+,18-7+,19-17+
InChIKeyLFFNEDIZBZDUPT-KFJFTADJSA-N
XLogP6.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.58
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6E,8E)-N-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 56673301
N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide
CID 123688474
(3E)-5-fluoro-3-[(E)-2-oxo-4-(2,2,6-trimethylcyclohexyl)but-3-enylidene]-3a,7a-dihydro-1H-indol-2-one
CID 129015144
N-[[4-(8-oxodecyl)cyclohexyl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216525
(Z)-4-[[4-[4-[(Z,2Z)-2-ethylidene-5-fluoropent-3-enyl]cyclohexyl]-4-oxobutyl]amino]-N-methylbut-2-enamide
CID 143476662
2,4,4,6-tetramethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(2,2,3,3-tetrafluorobutylamino)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
CID 146341504
2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(2,2,2-trifluoroethylamino)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-(2,2,2-trifluoroethylamino)cyclohex-2-en-1-one
CID 146341515
6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide
CID 154665755
N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide
CID 166882235
(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,3,3,6,6-pentamethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 169177743
CID 169177764
CID 169177764
N-(3,3-difluorocyclobutyl)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
CID 175801025

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The IUPAC name of (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 176773559) is (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide.
What is the SMILES notation for (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The canonical SMILES for (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC2CCC(F)CC2)C(C)(C)CCC1=O.
What is the InChIKey of (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is LFFNEDIZBZDUPT-KFJFTADJSA-N. The full InChI is InChI=1S/C26H36FNO2/c1-18(9-14-23-20(3)24(29)15-16-26(23,4)5)7-6-8-19(2)17-25(30)28-22-12-10-21(27)11-13-22/h6-9,14,17,21-22H,10-13,15-16H2,1-5H3,(H,28,30)/b8-6+,14-9+,18-7+,19-17+.
What are the key properties of (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 413.58 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 176773559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).