ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide

C17H24FNO2 — CID 176701392

IUPACethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(Oc2cc(F)ccc2C)CCC1.CC
InChIInChI=1S/C15H18FNO2.C2H6/c1-3-14(18)17-10-15(7-4-8-15)19-13-9-12(16)6-5-11(13)2;1-2/h3,5-6,9H,1,4,7-8,10H2,2H3,(H,17,18);1-2H3
InChIKeyDMVLGBBXENCBIY-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.76
Rot. Bonds5

About ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide

ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide (PubChem CID 176701392) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide.

Molecular Properties

Compound Nameethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide
PubChem CID176701392
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Nameethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(Oc2cc(F)ccc2C)CCC1.CC
InChIInChI=1S/C15H18FNO2.C2H6/c1-3-14(18)17-10-15(7-4-8-15)19-13-9-12(16)6-5-11(13)2;1-2/h3,5-6,9H,1,4,7-8,10H2,2H3,(H,17,18);1-2H3
InChIKeyDMVLGBBXENCBIY-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide?
The IUPAC name of ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide (CID 176701392) is ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide.
What is the SMILES notation for ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide?
The canonical SMILES for ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide is C=CC(=O)NCC1(Oc2cc(F)ccc2C)CCC1.CC.
What is the InChIKey of ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide?
The InChIKey is DMVLGBBXENCBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2.C2H6/c1-3-14(18)17-10-15(7-4-8-15)19-13-9-12(16)6-5-11(13)2;1-2/h3,5-6,9H,1,4,7-8,10H2,2H3,(H,17,18);1-2H3.
What are the key properties of ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide?
ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide has a molecular weight of 293.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[1-(5-fluoro-2-methylphenoxy)cyclobutyl]methyl]prop-2-enamide is sourced from PubChem (CID 176701392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).