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

C11H14N2O3 — CID 2739255

IUPACethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=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)
InChIKeyCLJBVUUDSXMRPF-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.86
Rot. Bonds3

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

ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate (PubChem CID 2739255) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
PubChem CID2739255
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)NN=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)
InChIKeyCLJBVUUDSXMRPF-UHFFFAOYSA-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

ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
CID 9075932
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
ethyl N-[(Z)-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethylideneamino]carbamate
CID 27876680
ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 87901864
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
ethyl N-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]carbamate
CID 9075807
ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
ethyl N-[1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]ethylideneamino]carbamate
CID 88711045

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate (CID 2739255) is ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate is CCOC(=O)NN=C(C)c1ccc(O)cc1.
What is the InChIKey of ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate?
The InChIKey is CLJBVUUDSXMRPF-UHFFFAOYSA-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).
What are the key properties of ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate?
ethyl N-[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-[1-(4-hydroxyphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 2739255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).