N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide

C21H32F3NO — CID 11187880

IUPACN-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide
SMILESC=CCCCC(C=C)(C=C)N(C(=O)C(F)(F)F)C(CC=C)CCCCC
InChIInChI=1S/C21H32F3NO/c1-6-11-13-16-18(15-8-3)25(19(26)21(22,23)24)20(9-4,10-5)17-14-12-7-2/h7-10,18H,2-6,11-17H2,1H3
InChIKeyALQLNCAXOSMSNA-UHFFFAOYSA-N
MW371.49 g/mol
LogP6.37
Rot. Bonds14

About N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide

N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide (PubChem CID 11187880) has the molecular formula C21H32F3NO and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide.

Molecular Properties

Compound NameN-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide
PubChem CID11187880
Molecular FormulaC21H32F3NO
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC NameN-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide
SMILESC=CCCCC(C=C)(C=C)N(C(=O)C(F)(F)F)C(CC=C)CCCCC
InChIInChI=1S/C21H32F3NO/c1-6-11-13-16-18(15-8-3)25(19(26)21(22,23)24)20(9-4,10-5)17-14-12-7-2/h7-10,18H,2-6,11-17H2,1H3
InChIKeyALQLNCAXOSMSNA-UHFFFAOYSA-N
XLogP6.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.49
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide?
The IUPAC name of N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide (CID 11187880) is N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide.
What is the SMILES notation for N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide?
The canonical SMILES for N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide is C=CCCCC(C=C)(C=C)N(C(=O)C(F)(F)F)C(CC=C)CCCCC.
What is the InChIKey of N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide?
The InChIKey is ALQLNCAXOSMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F3NO/c1-6-11-13-16-18(15-8-3)25(19(26)21(22,23)24)20(9-4,10-5)17-14-12-7-2/h7-10,18H,2-6,11-17H2,1H3.
What are the key properties of N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide?
N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide has a molecular weight of 371.49 g/mol, XLogP of 6.37, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenylocta-1,7-dien-3-yl)-2,2,2-trifluoro-N-non-1-en-4-ylacetamide is sourced from PubChem (CID 11187880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).