(2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide

C14H25NO2 — CID 130243604

IUPAC(2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide
SMILESC=C/C=C\C(=O)N(C)CCCCCCCCO
InChIInChI=1S/C14H25NO2/c1-3-4-11-14(17)15(2)12-9-7-5-6-8-10-13-16/h3-4,11,16H,1,5-10,12-13H2,2H3/b11-4-
InChIKeyBBNRBCMUPGRBLK-WCIBSUBMSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds10

About (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide

(2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide (PubChem CID 130243604) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide
PubChem CID130243604
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide
SMILESC=C/C=C\C(=O)N(C)CCCCCCCCO
InChIInChI=1S/C14H25NO2/c1-3-4-11-14(17)15(2)12-9-7-5-6-8-10-13-16/h3-4,11,16H,1,5-10,12-13H2,2H3/b11-4-
InChIKeyBBNRBCMUPGRBLK-WCIBSUBMSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide?
The IUPAC name of (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide (CID 130243604) is (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide.
What is the SMILES notation for (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide?
The canonical SMILES for (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide is C=C/C=C\C(=O)N(C)CCCCCCCCO.
What is the InChIKey of (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide?
The InChIKey is BBNRBCMUPGRBLK-WCIBSUBMSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-4-11-14(17)15(2)12-9-7-5-6-8-10-13-16/h3-4,11,16H,1,5-10,12-13H2,2H3/b11-4-.
What are the key properties of (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide?
(2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide has a molecular weight of 239.36 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(8-hydroxyoctyl)-N-methylpenta-2,4-dienamide is sourced from PubChem (CID 130243604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).