methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate

C17H23FN2O2 — CID 155718410

IUPACmethyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate
SMILESCO/C(=N\C(=C(C)C)c1cccc(F)c1)C1(N)CCOCC1
InChIInChI=1S/C17H23FN2O2/c1-12(2)15(13-5-4-6-14(18)11-13)20-16(21-3)17(19)7-9-22-10-8-17/h4-6,11H,7-10,19H2,1-3H3/b20-16-
InChIKeyIHIMLYHYNLWASV-SILNSSARSA-N
MW306.38 g/mol
LogP3.13
Rot. Bonds3

About methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate

methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate (PubChem CID 155718410) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate.

Molecular Properties

Compound Namemethyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate
PubChem CID155718410
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Namemethyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate
SMILESCO/C(=N\C(=C(C)C)c1cccc(F)c1)C1(N)CCOCC1
InChIInChI=1S/C17H23FN2O2/c1-12(2)15(13-5-4-6-14(18)11-13)20-16(21-3)17(19)7-9-22-10-8-17/h4-6,11H,7-10,19H2,1-3H3/b20-16-
InChIKeyIHIMLYHYNLWASV-SILNSSARSA-N
XLogP3.13
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate?
The IUPAC name of methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate (CID 155718410) is methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate.
What is the SMILES notation for methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate?
The canonical SMILES for methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate is CO/C(=N\C(=C(C)C)c1cccc(F)c1)C1(N)CCOCC1.
What is the InChIKey of methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate?
The InChIKey is IHIMLYHYNLWASV-SILNSSARSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(2)15(13-5-4-6-14(18)11-13)20-16(21-3)17(19)7-9-22-10-8-17/h4-6,11H,7-10,19H2,1-3H3/b20-16-.
What are the key properties of methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate?
methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate has a molecular weight of 306.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate is sourced from PubChem (CID 155718410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).