ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate

C12H16N2O5 — CID 135478866

IUPACethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C12H16N2O5/c1-4-19-12(16)14-13-7-8-5-9(17-2)11(15)10(6-8)18-3/h5-7,15H,4H2,1-3H3,(H,14,16)/b13-7+
InChIKeyMVXCEBISOXEBRL-NTUHNPAUSA-N
MW268.27 g/mol
LogP1.49
Rot. Bonds5

About ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate

ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate (PubChem CID 135478866) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate
PubChem CID135478866
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Nameethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C12H16N2O5/c1-4-19-12(16)14-13-7-8-5-9(17-2)11(15)10(6-8)18-3/h5-7,15H,4H2,1-3H3,(H,14,16)/b13-7+
InChIKeyMVXCEBISOXEBRL-NTUHNPAUSA-N
XLogP1.49
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone
CID 135548620
4-Hydroxy-3,5-dimethoxybenzaldehyde azine
CID 135401234
Syringaldazine
CID 84422
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135433201
Ethyl 2-(3-hydroxy-4-methoxybenzylidene)hydrazine-1-carboxylate
CID 6861615
4-Hydroxy-3,5-dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
CID 135412207
2-Oxo-2-[2-(2,3,4-trimethoxybenzylidene)hydrazino]acetamide
CID 6894085
5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol
CID 330197
Benzaldehyde, 3,5-dimethoxy-4-hydroxy-, oxime
CID 135850199
(E)-3,4-Dihydroxy-5-methoxybenzaldehyde O-methyl oxime (18)
CID 136646541
N'-[(E)-(3,4-Dimethoxyphenyl)methylidene](tert-butoxy)carbohydrazide
CID 6898702
benzyl N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]carbamate
CID 136986986

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate (CID 135478866) is ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate?
The InChIKey is MVXCEBISOXEBRL-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-4-19-12(16)14-13-7-8-5-9(17-2)11(15)10(6-8)18-3/h5-7,15H,4H2,1-3H3,(H,14,16)/b13-7+.
What are the key properties of ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate?
ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate has a molecular weight of 268.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 135478866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).