(2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide

C20H31NO2 — CID 118377657

IUPAC(2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide
SMILESC/C=C/C=C/CCCCCCC.NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H22.C8H9NO2/c1-3-5-7-9-11-12-10-8-6-4-2;9-8(11)5-6-1-3-7(10)4-2-6/h3,5,7,9H,4,6,8,10-12H2,1-2H3;1-4,10H,5H2,(H2,9,11)/b5-3+,9-7+;
InChIKeyNZCUKGIXBQNJTH-VSSJHNHUSA-N
MW317.47 g/mol
LogP4.90
Rot. Bonds9

About (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide

(2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide (PubChem CID 118377657) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name(2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide
PubChem CID118377657
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name(2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide
SMILESC/C=C/C=C/CCCCCCC.NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H22.C8H9NO2/c1-3-5-7-9-11-12-10-8-6-4-2;9-8(11)5-6-1-3-7(10)4-2-6/h3,5,7,9H,4,6,8,10-12H2,1-2H3;1-4,10H,5H2,(H2,9,11)/b5-3+,9-7+;
InChIKeyNZCUKGIXBQNJTH-VSSJHNHUSA-N
XLogP4.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide
CID 163028124
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
2-(4-hydroxyphenyl)ethyl (E)-octadec-9-enoate
CID 21044048
icosa-2,4-dienamide
CID 123364114
[(E)-heptadec-2-enyl] 4-hydroxybenzoate
CID 101322335
[(E)-non-2-enyl] 4-hydroxybenzoate
CID 101322245
(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
CID 14228728
[(E)-heptadec-10-enyl] 4-hydroxybenzoate
CID 101322343
[(E)-octadec-6-enyl] 4-hydroxybenzoate
CID 101322355
N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 70018191
[(E)-dec-3-enyl] 4-hydroxybenzoate
CID 101322254
calcium;hydride;(Z)-octadec-9-enoic acid;4-octadecylphenol
CID 174935211

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide?
The IUPAC name of (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide (CID 118377657) is (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide is C/C=C/C=C/CCCCCCC.NC(=O)Cc1ccc(O)cc1.
What is the InChIKey of (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide?
The InChIKey is NZCUKGIXBQNJTH-VSSJHNHUSA-N. The full InChI is InChI=1S/C12H22.C8H9NO2/c1-3-5-7-9-11-12-10-8-6-4-2;9-8(11)5-6-1-3-7(10)4-2-6/h3,5,7,9H,4,6,8,10-12H2,1-2H3;1-4,10H,5H2,(H2,9,11)/b5-3+,9-7+;.
What are the key properties of (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide?
(2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide has a molecular weight of 317.47 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 118377657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).