(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide

C20H23NO — CID 13477078

IUPAC(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/Cc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO/c1-16(2)15-21-20(22)11-5-3-4-8-17-12-13-18-9-6-7-10-19(18)14-17/h3-7,9-14,16H,8,15H2,1-2H3,(H,21,22)/b4-3+,11-5+
InChIKeyWVKAGQMNPWBHPR-ZHBGKXFASA-N
MW293.41 g/mol
LogP4.27
Rot. Bonds6

About (2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide (PubChem CID 13477078) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide
PubChem CID13477078
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/Cc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO/c1-16(2)15-21-20(22)11-5-3-4-8-17-12-13-18-9-6-7-10-19(18)14-17/h3-7,9-14,16H,8,15H2,1-2H3,(H,21,22)/b4-3+,11-5+
InChIKeyWVKAGQMNPWBHPR-ZHBGKXFASA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
CID 88635219
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
CID 5281870
(2E,4Z)-6-hydroxy-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide
CID 15416264
methyl (E)-4-naphthalen-2-ylbut-2-enoate
CID 59030798
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(E)-4-naphthalen-2-ylbut-2-enoic acid
CID 11789094
(2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide
CID 88614180
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 19898632
(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide
CID 88665225
9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
CID 173408172
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide (CID 13477078) is (2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/Cc1ccc2ccccc2c1.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide?
The InChIKey is WVKAGQMNPWBHPR-ZHBGKXFASA-N. The full InChI is InChI=1S/C20H23NO/c1-16(2)15-21-20(22)11-5-3-4-8-17-12-13-18-9-6-7-10-19(18)14-17/h3-7,9-14,16H,8,15H2,1-2H3,(H,21,22)/b4-3+,11-5+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide has a molecular weight of 293.41 g/mol, XLogP of 4.27, 6 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)-6-naphthalen-2-ylhexa-2,4-dienamide is sourced from PubChem (CID 13477078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).