(5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide

C15H26F2N2O2 — CID 155000437

IUPAC(5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide
SMILESCCCOCCNC(=O)C(F)(F)CC/C=C\C(C)=C/NC
InChIInChI=1S/C15H26F2N2O2/c1-4-10-21-11-9-19-14(20)15(16,17)8-6-5-7-13(2)12-18-3/h5,7,12,18H,4,6,8-11H2,1-3H3,(H,19,20)/b7-5-,13-12-
InChIKeyHTKYDEFAYSHWHS-TXTXDJJGSA-N
MW304.38 g/mol
LogP2.62
Rot. Bonds11

About (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide

(5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide (PubChem CID 155000437) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide.

Molecular Properties

Compound Name(5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide
PubChem CID155000437
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Name(5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide
SMILESCCCOCCNC(=O)C(F)(F)CC/C=C\C(C)=C/NC
InChIInChI=1S/C15H26F2N2O2/c1-4-10-21-11-9-19-14(20)15(16,17)8-6-5-7-13(2)12-18-3/h5,7,12,18H,4,6,8-11H2,1-3H3,(H,19,20)/b7-5-,13-12-
InChIKeyHTKYDEFAYSHWHS-TXTXDJJGSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide?
The IUPAC name of (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide (CID 155000437) is (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide.
What is the SMILES notation for (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide?
The canonical SMILES for (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide is CCCOCCNC(=O)C(F)(F)CC/C=C\C(C)=C/NC.
What is the InChIKey of (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide?
The InChIKey is HTKYDEFAYSHWHS-TXTXDJJGSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-4-10-21-11-9-19-14(20)15(16,17)8-6-5-7-13(2)12-18-3/h5,7,12,18H,4,6,8-11H2,1-3H3,(H,19,20)/b7-5-,13-12-.
What are the key properties of (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide?
(5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide has a molecular weight of 304.38 g/mol, XLogP of 2.62, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-2,2-difluoro-7-methyl-8-(methylamino)-N-(2-propoxyethyl)octa-5,7-dienamide is sourced from PubChem (CID 155000437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).