ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate

C11H14N2O3 — CID 135544968

IUPACethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(\C)c1ccc(O)cc1
InChIInChI=1S/C11H14N2O3/c1-3-16-11(15)13-12-8(2)9-4-6-10(14)7-5-9/h4-7,14H,3H2,1-2H3,(H,13,15)/b12-8+
InChIKeyCLJBVUUDSXMRPF-XYOKQWHBSA-N
MW222.24 g/mol
LogP1.86
Rot. Bonds3

About ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate

ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate (PubChem CID 135544968) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate
PubChem CID135544968
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(\C)c1ccc(O)cc1
InChIInChI=1S/C11H14N2O3/c1-3-16-11(15)13-12-8(2)9-4-6-10(14)7-5-9/h4-7,14H,3H2,1-2H3,(H,13,15)/b12-8+
InChIKeyCLJBVUUDSXMRPF-XYOKQWHBSA-N
XLogP1.86
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-{2-[1-(2-Hydroxyphenyl)propylidene]hydrazino}-2-oxoacetamide
CID 135521546
methyl N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 9671299
Tert-butyl 2-[bis(4-hydroxyphenyl)methylidene]hydrazinecarboxylate
CID 135647543
Tert-butyl-2-(4-hydroxybenzylidene)hydrazinecarboxylate
CID 135480563
US11427553, Example 105
CID 137462735
US11427553, Example 106
CID 137462743
US11427553, Example 104
CID 137465159
Benzyl-2-(4-hydroxybenzylidene)hydrazinecarboxylate
CID 135496292
5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
CID 166628528
Ethyl-2-(4-hydroxybenzylidene)hydrazinecarboxylate
CID 135452431
2-(1-(2-Hydroxyphenyl)ethylidene)hydrazinecarboxamide
CID 135504716
ethyl (2E)-2-(2-hydroxybenzylidene)hydrazinecarboxylate
CID 135478857

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate (CID 135544968) is ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate is CCOC(=O)N/N=C(\C)c1ccc(O)cc1.
What is the InChIKey of ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate?
The InChIKey is CLJBVUUDSXMRPF-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-16-11(15)13-12-8(2)9-4-6-10(14)7-5-9/h4-7,14H,3H2,1-2H3,(H,13,15)/b12-8+.
What are the key properties of ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate?
ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate has a molecular weight of 222.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 135544968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).