(2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide

C23H28FNO2 — CID 88665419

IUPAC(2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCOc1cccc2ccc(F)cc12
InChIInChI=1S/C23H28FNO2/c1-18(2)17-25-23(26)12-7-5-3-4-6-8-15-27-22-11-9-10-19-13-14-20(24)16-21(19)22/h3,5,7,9-14,16,18H,4,6,8,15,17H2,1-2H3,(H,25,26)/b5-3+,12-7+
InChIKeyINKDADFUGSEEPH-PPRDQHCASA-N
MW369.48 g/mol
LogP5.41
Rot. Bonds10

About (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide

(2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide (PubChem CID 88665419) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
PubChem CID88665419
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name(2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCOc1cccc2ccc(F)cc12
InChIInChI=1S/C23H28FNO2/c1-18(2)17-25-23(26)12-7-5-3-4-6-8-15-27-22-11-9-10-19-13-14-20(24)16-21(19)22/h3,5,7,9-14,16,18H,4,6,8,15,17H2,1-2H3,(H,25,26)/b5-3+,12-7+
InChIKeyINKDADFUGSEEPH-PPRDQHCASA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
CID 173408172
(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide
CID 88665225
(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 19898632
(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
CID 88635219
(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
CID 88710784
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 88635399
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 22843999

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide (CID 88665419) is (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/CCCCOc1cccc2ccc(F)cc12.
What is the InChIKey of (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide?
The InChIKey is INKDADFUGSEEPH-PPRDQHCASA-N. The full InChI is InChI=1S/C23H28FNO2/c1-18(2)17-25-23(26)12-7-5-3-4-6-8-15-27-22-11-9-10-19-13-14-20(24)16-21(19)22/h3,5,7,9-14,16,18H,4,6,8,15,17H2,1-2H3,(H,25,26)/b5-3+,12-7+.
What are the key properties of (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide?
(2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide has a molecular weight of 369.48 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide is sourced from PubChem (CID 88665419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).