methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate

C21H22N2O4 — CID 141106557

IUPACmethyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
SMILESCOC(=O)N(OC)c1ccccc1CON=C(C)C1=Cc2ccccc2C1
InChIInChI=1S/C21H22N2O4/c1-15(19-12-16-8-4-5-9-17(16)13-19)22-27-14-18-10-6-7-11-20(18)23(26-3)21(24)25-2/h4-12H,13-14H2,1-3H3
InChIKeyGYEUKLIFLVGUMB-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.35
Rot. Bonds6

About methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate

methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate (PubChem CID 141106557) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate.

Molecular Properties

Compound Namemethyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
PubChem CID141106557
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namemethyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
SMILESCOC(=O)N(OC)c1ccccc1CON=C(C)C1=Cc2ccccc2C1
InChIInChI=1S/C21H22N2O4/c1-15(19-12-16-8-4-5-9-17(16)13-19)22-27-14-18-10-6-7-11-20(18)23(26-3)21(24)25-2/h4-12H,13-14H2,1-3H3
InChIKeyGYEUKLIFLVGUMB-UHFFFAOYSA-N
XLogP4.35
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.35
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-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667655
CID 20667532
CID 20667532
methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 54149185
methyl N-[2-[[(E)-1-(5-fluoro-1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 172964281
[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate
CID 54302487
methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
CID 10891056
methyl N-[2-[[1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbonylcarbamate
CID 54110696
methyl N-methoxycarbonyl-N-[2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667648
methyl N-ethyl-N-[2-[(3-oxobutan-2-ylideneamino)oxymethyl]phenyl]carbamate
CID 72640017
methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
CID 20667514
methyl N-[2-[[(E)-[(3E)-3-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]-N-(methoxymethyl)carbamate
CID 57427966
methyl N-[2-[[(E)-[(3E,4E)-3,4-bis(methoxyimino)pentan-2-ylidene]amino]oxymethyl]-5-methylphenyl]-N-methoxycarbamate
CID 20655882

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate?
The IUPAC name of methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate (CID 141106557) is methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate.
What is the SMILES notation for methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate?
The canonical SMILES for methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate is COC(=O)N(OC)c1ccccc1CON=C(C)C1=Cc2ccccc2C1.
What is the InChIKey of methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate?
The InChIKey is GYEUKLIFLVGUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15(19-12-16-8-4-5-9-17(16)13-19)22-27-14-18-10-6-7-11-20(18)23(26-3)21(24)25-2/h4-12H,13-14H2,1-3H3.
What are the key properties of methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate?
methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate has a molecular weight of 366.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate is sourced from PubChem (CID 141106557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).