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

C20H24N2O4 — CID 58308785

IUPACmethyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate
SMILESCCc1cccc(CO/N=C(\C)c2ccc(C)c(ONC(=O)OC)c2)c1
InChIInChI=1S/C20H24N2O4/c1-5-16-7-6-8-17(11-16)13-25-21-15(3)18-10-9-14(2)19(12-18)26-22-20(23)24-4/h6-12H,5,13H2,1-4H3,(H,22,23)/b21-15+
InChIKeyGKHJKDXMTQUAPN-RCCKNPSSSA-N
MW356.42 g/mol
LogP4.15
Rot. Bonds7

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

methyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate (PubChem CID 58308785) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate
PubChem CID58308785
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate
SMILESCCc1cccc(CO/N=C(\C)c2ccc(C)c(ONC(=O)OC)c2)c1
InChIInChI=1S/C20H24N2O4/c1-5-16-7-6-8-17(11-16)13-25-21-15(3)18-10-9-14(2)19(12-18)26-22-20(23)24-4/h6-12H,5,13H2,1-4H3,(H,22,23)/b21-15+
InChIKeyGKHJKDXMTQUAPN-RCCKNPSSSA-N
XLogP4.15
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.15
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-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate?
The IUPAC name of methyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate (CID 58308785) is methyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate.
What is the SMILES notation for methyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate?
The canonical SMILES for methyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate is CCc1cccc(CO/N=C(\C)c2ccc(C)c(ONC(=O)OC)c2)c1.
What is the InChIKey of methyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate?
The InChIKey is GKHJKDXMTQUAPN-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-16-7-6-8-17(11-16)13-25-21-15(3)18-10-9-14(2)19(12-18)26-22-20(23)24-4/h6-12H,5,13H2,1-4H3,(H,22,23)/b21-15+.
What are the key properties of methyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate?
methyl N-[5-[(E)-N-[(3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate has a molecular weight of 356.42 g/mol, XLogP of 4.15, 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-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate is sourced from PubChem (CID 58308785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).