methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate

C20H23FN2O4 — CID 58308802

IUPACmethyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate
SMILESCCc1cccc(CO/N=C(\C)c2ccc(C)c(ONC(=O)OC)c2)c1F
InChIInChI=1S/C20H23FN2O4/c1-5-15-7-6-8-17(19(15)21)12-26-22-14(3)16-10-9-13(2)18(11-16)27-23-20(24)25-4/h6-11H,5,12H2,1-4H3,(H,23,24)/b22-14+
InChIKeyFGGONZPSTNZYQJ-HYARGMPZSA-N
MW374.41 g/mol
LogP4.29
Rot. Bonds7

About methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate

methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate (PubChem CID 58308802) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate
PubChem CID58308802
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Namemethyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate
SMILESCCc1cccc(CO/N=C(\C)c2ccc(C)c(ONC(=O)OC)c2)c1F
InChIInChI=1S/C20H23FN2O4/c1-5-15-7-6-8-17(19(15)21)12-26-22-14(3)16-10-9-13(2)18(11-16)27-23-20(24)25-4/h6-11H,5,12H2,1-4H3,(H,23,24)/b22-14+
InChIKeyFGGONZPSTNZYQJ-HYARGMPZSA-N
XLogP4.29
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate?
The IUPAC name of methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate (CID 58308802) is methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate.
What is the SMILES notation for methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate?
The canonical SMILES for methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate is CCc1cccc(CO/N=C(\C)c2ccc(C)c(ONC(=O)OC)c2)c1F.
What is the InChIKey of methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate?
The InChIKey is FGGONZPSTNZYQJ-HYARGMPZSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-5-15-7-6-8-17(19(15)21)12-26-22-14(3)16-10-9-13(2)18(11-16)27-23-20(24)25-4/h6-11H,5,12H2,1-4H3,(H,23,24)/b22-14+.
What are the key properties of methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate?
methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate has a molecular weight of 374.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[(E)-N-[(3-ethyl-2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate is sourced from PubChem (CID 58308802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).