methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate

C18H20N2O3 — CID 20667537

IUPACmethyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1CO/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3/c1-13-8-10-15(11-9-13)14(2)20-23-12-16-6-4-5-7-17(16)19-18(21)22-3/h4-11H,12H2,1-3H3,(H,19,21)/b20-14+
InChIKeyROBMGHVBWHNNOR-XSFVSMFZSA-N
MW312.37 g/mol
LogP4.11
Rot. Bonds5

About methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate

methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate (PubChem CID 20667537) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
PubChem CID20667537
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1CO/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3/c1-13-8-10-15(11-9-13)14(2)20-23-12-16-6-4-5-7-17(16)19-18(21)22-3/h4-11H,12H2,1-3H3,(H,19,21)/b20-14+
InChIKeyROBMGHVBWHNNOR-XSFVSMFZSA-N
XLogP4.11
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]carbamate
CID 72640020
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
methyl (2E)-2-methoxyimino-2-[3-methyl-4-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetate
CID 157024348
methyl N-methoxycarbonyl-N-[2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667648
methyl N-[2-[[1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbonylcarbamate
CID 54110696
methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
CID 129038342
methyl N-[2-chloro-5-[C-methyl-N-[(2-methylphenyl)methoxy]carbonimidoyl]phenoxy]carbamate
CID 76755402
methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667670
methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667655
methyl (E)-3-[2-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-3-methoxyprop-2-enoate
CID 154420704
methyl N-[2-chloro-5-[N-[(2-methoxyphenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]carbamate
CID 76755408
methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
CID 20667514

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate (CID 20667537) is methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate is COC(=O)Nc1ccccc1CO/N=C(\C)c1ccc(C)cc1.
What is the InChIKey of methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate?
The InChIKey is ROBMGHVBWHNNOR-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-10-15(11-9-13)14(2)20-23-12-16-6-4-5-7-17(16)19-18(21)22-3/h4-11H,12H2,1-3H3,(H,19,21)/b20-14+.
What are the key properties of methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate?
methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate is sourced from PubChem (CID 20667537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).