(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide

C20H29NO2 — CID 45359729

IUPAC(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide
SMILESCCCCCCC/C=C/C=C/C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-11-20(23)21-17-16-18-12-14-19(22)15-13-18/h8-15,22H,2-7,16-17H2,1H3,(H,21,23)/b9-8+,11-10+
InChIKeyVVRNYAJXAUQHEN-BNFZFUHLSA-N
MW315.46 g/mol
LogP4.52
Rot. Bonds11

About (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide

(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide (PubChem CID 45359729) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide
PubChem CID45359729
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide
SMILESCCCCCCC/C=C/C=C/C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-11-20(23)21-17-16-18-12-14-19(22)15-13-18/h8-15,22H,2-7,16-17H2,1H3,(H,21,23)/b9-8+,11-10+
InChIKeyVVRNYAJXAUQHEN-BNFZFUHLSA-N
XLogP4.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
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

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N-trans-Cinnamoyltyramine
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SU 1498
CID 5941539

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide (CID 45359729) is (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide is CCCCCCC/C=C/C=C/C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide?
The InChIKey is VVRNYAJXAUQHEN-BNFZFUHLSA-N. The full InChI is InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-11-20(23)21-17-16-18-12-14-19(22)15-13-18/h8-15,22H,2-7,16-17H2,1H3,(H,21,23)/b9-8+,11-10+.
What are the key properties of (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide?
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide has a molecular weight of 315.46 g/mol, XLogP of 4.52, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide is sourced from PubChem (CID 45359729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).