methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate

C18H20N2O4 — CID 20667655

IUPACmethyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
SMILESCOC(=O)N(OC)c1ccccc1CO/N=C(\C)c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-14(15-9-5-4-6-10-15)19-24-13-16-11-7-8-12-17(16)20(23-3)18(21)22-2/h4-12H,13H2,1-3H3/b19-14+
InChIKeyBCPAVFVHTZUZTE-XMHGGMMESA-N
MW328.37 g/mol
LogP3.76
Rot. Bonds6

About methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate

methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate (PubChem CID 20667655) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
PubChem CID20667655
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
SMILESCOC(=O)N(OC)c1ccccc1CO/N=C(\C)c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-14(15-9-5-4-6-10-15)19-24-13-16-11-7-8-12-17(16)20(23-3)18(21)22-2/h4-12H,13H2,1-3H3/b19-14+
InChIKeyBCPAVFVHTZUZTE-XMHGGMMESA-N
XLogP3.76
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
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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Related Compounds

methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 54149185
CID 20667532
CID 20667532
[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate
CID 54302487
methyl N-[2-[[1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbonylcarbamate
CID 54110696
methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 141106557
methyl N-methoxycarbonyl-N-[2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667648
methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667670
methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
CID 20667514
methyl N-[2-[[(E)-1-(5-fluoro-1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 172964281
methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
CID 10891056
methyl N-[2-[[(E)-1-(3-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-prop-2-ynylcarbamate
CID 20667507
methyl N-ethyl-N-[2-[(3-oxobutan-2-ylideneamino)oxymethyl]phenyl]carbamate
CID 72640017

Frequently Asked Questions

What is the IUPAC name of methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate?
The IUPAC name of methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate (CID 20667655) is methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate.
What is the SMILES notation for methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate?
The canonical SMILES for methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate is COC(=O)N(OC)c1ccccc1CO/N=C(\C)c1ccccc1.
What is the InChIKey of methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate?
The InChIKey is BCPAVFVHTZUZTE-XMHGGMMESA-N. The full InChI is InChI=1S/C18H20N2O4/c1-14(15-9-5-4-6-10-15)19-24-13-16-11-7-8-12-17(16)20(23-3)18(21)22-2/h4-12H,13H2,1-3H3/b19-14+.
What are the key properties of methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate?
methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate is sourced from PubChem (CID 20667655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).