N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide

C17H29NO2 — CID 75299401

IUPACN-(oxolan-3-ylmethyl)dodeca-2,4-dienamide
SMILESCCCCCCCC=CC=CC(=O)NCC1CCOC1
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-8-9-10-11-17(19)18-14-16-12-13-20-15-16/h8-11,16H,2-7,12-15H2,1H3,(H,18,19)
InChIKeyIMLFHTXDDLVATJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.61
Rot. Bonds10

About N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide

N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide (PubChem CID 75299401) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)dodeca-2,4-dienamide
PubChem CID75299401
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-(oxolan-3-ylmethyl)dodeca-2,4-dienamide
SMILESCCCCCCCC=CC=CC(=O)NCC1CCOC1
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-8-9-10-11-17(19)18-14-16-12-13-20-15-16/h8-11,16H,2-7,12-15H2,1H3,(H,18,19)
InChIKeyIMLFHTXDDLVATJ-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.61
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 N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide?
The IUPAC name of N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide (CID 75299401) is N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide is CCCCCCCC=CC=CC(=O)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide?
The InChIKey is IMLFHTXDDLVATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-3-4-5-6-7-8-9-10-11-17(19)18-14-16-12-13-20-15-16/h8-11,16H,2-7,12-15H2,1H3,(H,18,19).
What are the key properties of N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide?
N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide has a molecular weight of 279.42 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)dodeca-2,4-dienamide is sourced from PubChem (CID 75299401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).