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

C14H20N2O3 — CID 135730413

IUPACtert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
SMILESC/C(=N\NC(=O)OC(C)(C)C)c1cc(C)ccc1O
InChIInChI=1S/C14H20N2O3/c1-9-6-7-12(17)11(8-9)10(2)15-16-13(18)19-14(3,4)5/h6-8,17H,1-5H3,(H,16,18)/b15-10+
InChIKeyBFNWOJOMNOREMR-XNTDXEJSSA-N
MW264.32 g/mol
LogP2.95
Rot. Bonds2

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

tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate (PubChem CID 135730413) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
PubChem CID135730413
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
SMILESC/C(=N\NC(=O)OC(C)(C)C)c1cc(C)ccc1O
InChIInChI=1S/C14H20N2O3/c1-9-6-7-12(17)11(8-9)10(2)15-16-13(18)19-14(3,4)5/h6-8,17H,1-5H3,(H,16,18)/b15-10+
InChIKeyBFNWOJOMNOREMR-XNTDXEJSSA-N
XLogP2.95
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.95
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-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9074515
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid
CID 137152723
tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate
CID 9074784
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-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 7713725

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate (CID 135730413) is tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate is C/C(=N\NC(=O)OC(C)(C)C)c1cc(C)ccc1O.
What is the InChIKey of tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate?
The InChIKey is BFNWOJOMNOREMR-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-7-12(17)11(8-9)10(2)15-16-13(18)19-14(3,4)5/h6-8,17H,1-5H3,(H,16,18)/b15-10+.
What are the key properties of tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate?
tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 135730413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).