N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide

C25H37NO2 — CID 53394011

IUPACN-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCc1ccoc1
InChIInChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-22-24-20-21-28-23-24/h6-7,9-10,12-13,15-16,20-21,23H,2-5,8,11,14,17-19,22H2,1H3,(H,26,27)
InChIKeyFZNNBSHTNRBBBD-UHFFFAOYSA-N
MW383.58 g/mol
LogP7.04
Rot. Bonds16

About N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide

N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide (PubChem CID 53394011) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide
PubChem CID53394011
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC NameN-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCc1ccoc1
InChIInChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-22-24-20-21-28-23-24/h6-7,9-10,12-13,15-16,20-21,23H,2-5,8,11,14,17-19,22H2,1H3,(H,26,27)
InChIKeyFZNNBSHTNRBBBD-UHFFFAOYSA-N
XLogP7.04
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 57.04
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide (CID 53394011) is N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is FZNNBSHTNRBBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-22-24-20-21-28-23-24/h6-7,9-10,12-13,15-16,20-21,23H,2-5,8,11,14,17-19,22H2,1H3,(H,26,27).
What are the key properties of N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide?
N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 383.58 g/mol, XLogP of 7.04, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 53394011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).