N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide

C18H28FNO3 — CID 176701261

IUPACN-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide
SMILESC=C(F)/C=C(/OCCOCCNC(=O)C1(C)CC1)C(=C)C(C)C
InChIInChI=1S/C18H28FNO3/c1-13(2)15(4)16(12-14(3)19)23-11-10-22-9-8-20-17(21)18(5)6-7-18/h12-13H,3-4,6-11H2,1-2,5H3,(H,20,21)/b16-12+
InChIKeyIBGURYMUDHAWJV-FOWTUZBSSA-N
MW325.42 g/mol
LogP3.52
Rot. Bonds11

About N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide

N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 176701261) has the molecular formula C18H28FNO3 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide
PubChem CID176701261
Molecular FormulaC18H28FNO3
Molecular Weight325.42 g/mol
Exact Mass325.21
IUPAC NameN-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide
SMILESC=C(F)/C=C(/OCCOCCNC(=O)C1(C)CC1)C(=C)C(C)C
InChIInChI=1S/C18H28FNO3/c1-13(2)15(4)16(12-14(3)19)23-11-10-22-9-8-20-17(21)18(5)6-7-18/h12-13H,3-4,6-11H2,1-2,5H3,(H,20,21)/b16-12+
InChIKeyIBGURYMUDHAWJV-FOWTUZBSSA-N
XLogP3.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide (CID 176701261) is N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide is C=C(F)/C=C(/OCCOCCNC(=O)C1(C)CC1)C(=C)C(C)C.
What is the InChIKey of N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is IBGURYMUDHAWJV-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H28FNO3/c1-13(2)15(4)16(12-14(3)19)23-11-10-22-9-8-20-17(21)18(5)6-7-18/h12-13H,3-4,6-11H2,1-2,5H3,(H,20,21)/b16-12+.
What are the key properties of N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide?
N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 176701261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).