ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate

C11H14N2O4 — CID 135458848

IUPACethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cccc(OC)c1O
InChIInChI=1S/C11H14N2O4/c1-3-17-11(15)13-12-7-8-5-4-6-9(16-2)10(8)14/h4-7,14H,3H2,1-2H3,(H,13,15)/b12-7+
InChIKeyJFJXTAHWPNCJKG-KPKJPENVSA-N
MW238.24 g/mol
LogP1.48
Rot. Bonds4

About ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate

ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate (PubChem CID 135458848) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
PubChem CID135458848
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cccc(OC)c1O
InChIInChI=1S/C11H14N2O4/c1-3-17-11(15)13-12-7-8-5-4-6-9(16-2)10(8)14/h4-7,14H,3H2,1-2H3,(H,13,15)/b12-7+
InChIKeyJFJXTAHWPNCJKG-KPKJPENVSA-N
XLogP1.48
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135553938
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
ethyl 4-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932374
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate (CID 135458848) is ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1cccc(OC)c1O.
What is the InChIKey of ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate?
The InChIKey is JFJXTAHWPNCJKG-KPKJPENVSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-17-11(15)13-12-7-8-5-4-6-9(16-2)10(8)14/h4-7,14H,3H2,1-2H3,(H,13,15)/b12-7+.
What are the key properties of ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate?
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate has a molecular weight of 238.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 135458848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).