N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide

C14H25NO2 — CID 134607236

IUPACN-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCCCCO)C(=O)C=C
InChIInChI=1S/C14H25NO2/c1-3-11-15(14(17)4-2)12-9-7-5-6-8-10-13-16/h3-4,16H,1-2,5-13H2
InChIKeyYWMJYYBRSYJHTH-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds11

About N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide

N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide (PubChem CID 134607236) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide
PubChem CID134607236
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCCCCO)C(=O)C=C
InChIInChI=1S/C14H25NO2/c1-3-11-15(14(17)4-2)12-9-7-5-6-8-10-13-16/h3-4,16H,1-2,5-13H2
InChIKeyYWMJYYBRSYJHTH-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide (CID 134607236) is N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide is C=CCN(CCCCCCCCO)C(=O)C=C.
What is the InChIKey of N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is YWMJYYBRSYJHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-11-15(14(17)4-2)12-9-7-5-6-8-10-13-16/h3-4,16H,1-2,5-13H2.
What are the key properties of N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide?
N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 2.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxyoctyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 134607236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).