(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide

C22H27NO — CID 88635219

IUPAC(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCc1ccc2ccccc2c1
InChIInChI=1S/C22H27NO/c1-18(2)17-23-22(24)13-7-5-3-4-6-10-19-14-15-20-11-8-9-12-21(20)16-19/h3,5,7-9,11-16,18H,4,6,10,17H2,1-2H3,(H,23,24)/b5-3+,13-7+
InChIKeyCFEOGDBOCOSHQV-SXUHSURCSA-N
MW321.46 g/mol
LogP5.05
Rot. Bonds8

About (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide (PubChem CID 88635219) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
PubChem CID88635219
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCc1ccc2ccccc2c1
InChIInChI=1S/C22H27NO/c1-18(2)17-23-22(24)13-7-5-3-4-6-10-19-14-15-20-11-8-9-12-21(20)16-19/h3,5,7-9,11-16,18H,4,6,10,17H2,1-2H3,(H,23,24)/b5-3+,13-7+
InChIKeyCFEOGDBOCOSHQV-SXUHSURCSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide
CID 13477078
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,4Z)-6-hydroxy-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide
CID 15416264
(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)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide
CID 88614180
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
CID 5281870
9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
CID 173408172
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
CID 88710784
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide (CID 88635219) is (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/CCCc1ccc2ccccc2c1.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide?
The InChIKey is CFEOGDBOCOSHQV-SXUHSURCSA-N. The full InChI is InChI=1S/C22H27NO/c1-18(2)17-23-22(24)13-7-5-3-4-6-10-19-14-15-20-11-8-9-12-21(20)16-19/h3,5,7-9,11-16,18H,4,6,10,17H2,1-2H3,(H,23,24)/b5-3+,13-7+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide has a molecular weight of 321.46 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide is sourced from PubChem (CID 88635219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).