2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane

C19H32FNO3 — CID 176700323

IUPAC2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane
SMILESC=C(F)/C=C(/OCCOCCNC(=O)CC1CCC1)C(=C)C.CC
InChIInChI=1S/C17H26FNO3.C2H6/c1-13(2)16(11-14(3)18)22-10-9-21-8-7-19-17(20)12-15-5-4-6-15;1-2/h11,15H,1,3-10,12H2,2H3,(H,19,20);1-2H3/b16-11+;
InChIKeyMWNCVDVAJAQJQH-YFMOEUEHSA-N
MW341.47 g/mol
LogP4.30
Rot. Bonds11

About 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane

2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane (PubChem CID 176700323) has the molecular formula C19H32FNO3 and a molecular weight of 341.47 g/mol. Its IUPAC name is 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane.

Molecular Properties

Compound Name2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane
PubChem CID176700323
Molecular FormulaC19H32FNO3
Molecular Weight341.47 g/mol
Exact Mass341.24
IUPAC Name2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane
SMILESC=C(F)/C=C(/OCCOCCNC(=O)CC1CCC1)C(=C)C.CC
InChIInChI=1S/C17H26FNO3.C2H6/c1-13(2)16(11-14(3)18)22-10-9-21-8-7-19-17(20)12-15-5-4-6-15;1-2/h11,15H,1,3-10,12H2,2H3,(H,19,20);1-2H3/b16-11+;
InChIKeyMWNCVDVAJAQJQH-YFMOEUEHSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 54.30
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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Related Compounds

2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
N-[2-(2-chloroethoxy)ethyl]-2-cyclobutylacetamide
CID 103166701
2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide
CID 146648698
2-[4-(aminomethyl)cyclohexyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63834528
2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
CID 79457520
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide
CID 114162833
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79615251
N-(3-bromopropyl)-2-cyclobutylacetamide
CID 103164386
N-(2-chloroethyl)-2-cyclobutylacetamide
CID 103164388
N-(2-ethoxyethyl)-2-piperidin-3-ylacetamide
CID 62689521
(1-propanoylpyrrolidin-3-yl) N-[2-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethoxy]ethyl]carbamate
CID 176700378

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane?
The IUPAC name of 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane (CID 176700323) is 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane.
What is the SMILES notation for 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane?
The canonical SMILES for 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane is C=C(F)/C=C(/OCCOCCNC(=O)CC1CCC1)C(=C)C.CC.
What is the InChIKey of 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane?
The InChIKey is MWNCVDVAJAQJQH-YFMOEUEHSA-N. The full InChI is InChI=1S/C17H26FNO3.C2H6/c1-13(2)16(11-14(3)18)22-10-9-21-8-7-19-17(20)12-15-5-4-6-15;1-2/h11,15H,1,3-10,12H2,2H3,(H,19,20);1-2H3/b16-11+;.
What are the key properties of 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane?
2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane has a molecular weight of 341.47 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane is sourced from PubChem (CID 176700323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).