(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide

C25H33NO2 — CID 88665225

IUPAC(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCCCOc1cccc2ccccc12
InChIInChI=1S/C25H33NO2/c1-21(2)20-26-25(27)18-9-7-5-3-4-6-8-12-19-28-24-17-13-15-22-14-10-11-16-23(22)24/h5,7,9-11,13-18,21H,3-4,6,8,12,19-20H2,1-2H3,(H,26,27)/b7-5+,18-9+
InChIKeyMBQLSELUBLXHNB-JXGVBEJFSA-N
MW379.54 g/mol
LogP6.05
Rot. Bonds12

About (2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide (PubChem CID 88665225) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide
PubChem CID88665225
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCCCOc1cccc2ccccc12
InChIInChI=1S/C25H33NO2/c1-21(2)20-26-25(27)18-9-7-5-3-4-6-8-12-19-28-24-17-13-15-22-14-10-11-16-23(22)24/h5,7,9-11,13-18,21H,3-4,6,8,12,19-20H2,1-2H3,(H,26,27)/b7-5+,18-9+
InChIKeyMBQLSELUBLXHNB-JXGVBEJFSA-N
XLogP6.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.05
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)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
CID 88665419
(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 19898632
(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-naphthalen-2-ylocta-2,4-dienamide
CID 88635219
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienethioamide
CID 54155202
(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)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide (CID 88665225) is (2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/CCCCCCOc1cccc2ccccc12.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide?
The InChIKey is MBQLSELUBLXHNB-JXGVBEJFSA-N. The full InChI is InChI=1S/C25H33NO2/c1-21(2)20-26-25(27)18-9-7-5-3-4-6-8-12-19-28-24-17-13-15-22-14-10-11-16-23(22)24/h5,7,9-11,13-18,21H,3-4,6,8,12,19-20H2,1-2H3,(H,26,27)/b7-5+,18-9+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide has a molecular weight of 379.54 g/mol, XLogP of 6.05, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide is sourced from PubChem (CID 88665225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).