methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate

C11H14N2O3 — CID 135730431

IUPACmethyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(\C)c1cc(C)ccc1O
InChIInChI=1S/C11H14N2O3/c1-7-4-5-10(14)9(6-7)8(2)12-13-11(15)16-3/h4-6,14H,1-3H3,(H,13,15)/b12-8+
InChIKeyNWNPBVCMNAZAEF-XYOKQWHBSA-N
MW222.24 g/mol
LogP1.78
Rot. Bonds2

About methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate

methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate (PubChem CID 135730431) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
PubChem CID135730431
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(\C)c1cc(C)ccc1O
InChIInChI=1S/C11H14N2O3/c1-7-4-5-10(14)9(6-7)8(2)12-13-11(15)16-3/h4-6,14H,1-3H3,(H,13,15)/b12-8+
InChIKeyNWNPBVCMNAZAEF-XYOKQWHBSA-N
XLogP1.78
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730413
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid
CID 137152723
tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9074515
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 136727508
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 135614486
ethyl N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]carbamate
CID 135758776
ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
CID 137268526
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate
CID 9075082

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate (CID 135730431) is methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate is COC(=O)N/N=C(\C)c1cc(C)ccc1O.
What is the InChIKey of methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate?
The InChIKey is NWNPBVCMNAZAEF-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-4-5-10(14)9(6-7)8(2)12-13-11(15)16-3/h4-6,14H,1-3H3,(H,13,15)/b12-8+.
What are the key properties of methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate?
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate has a molecular weight of 222.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 135730431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).