methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate

C19H22N2O3 — CID 20667670

IUPACmethyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
SMILESCOC(=O)N(C)c1c(C)cccc1CO/N=C(\C)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14-9-8-12-17(18(14)21(3)19(22)23-4)13-24-20-15(2)16-10-6-5-7-11-16/h5-12H,13H2,1-4H3/b20-15+
InChIKeyLERPPPVHFKZMEX-HMMYKYKNSA-N
MW326.40 g/mol
LogP4.14
Rot. Bonds5

About methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate

methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate (PubChem CID 20667670) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
PubChem CID20667670
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
SMILESCOC(=O)N(C)c1c(C)cccc1CO/N=C(\C)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14-9-8-12-17(18(14)21(3)19(22)23-4)13-24-20-15(2)16-10-6-5-7-11-16/h5-12H,13H2,1-4H3/b20-15+
InChIKeyLERPPPVHFKZMEX-HMMYKYKNSA-N
XLogP4.14
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
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-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667655
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-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
CID 20667514
methyl N-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667537
methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 54149185
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
methyl N-[2-[[(E)-1-(3-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-prop-2-ynylcarbamate
CID 20667507
methyl 2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
CID 85447593
methyl N-[2-chloro-5-[C-methyl-N-[(2-methylphenyl)methoxy]carbonimidoyl]phenoxy]carbamate
CID 76755402
N,N-dimethyl-4-[C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide
CID 5030884
methyl 2-[[2-(1-phenylethylideneamino)oxyacetyl]amino]benzoate
CID 3533780

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate?
The IUPAC name of methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate (CID 20667670) is methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate is COC(=O)N(C)c1c(C)cccc1CO/N=C(\C)c1ccccc1.
What is the InChIKey of methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate?
The InChIKey is LERPPPVHFKZMEX-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-9-8-12-17(18(14)21(3)19(22)23-4)13-24-20-15(2)16-10-6-5-7-11-16/h5-12H,13H2,1-4H3/b20-15+.
What are the key properties of methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate?
methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate is sourced from PubChem (CID 20667670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).