tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate

C19H21ClN2O3 — CID 6883331

IUPACtert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)25-18(23)22-21-12-14-8-10-16(11-9-14)24-13-15-6-4-5-7-17(15)20/h4-12H,13H2,1-3H3,(H,22,23)/b21-12+
InChIKeyNSCFKODIHWSHPT-CIAFOILYSA-N
MW360.84 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate

tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate (PubChem CID 6883331) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate
PubChem CID6883331
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Nametert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)25-18(23)22-21-12-14-8-10-16(11-9-14)24-13-15-6-4-5-7-17(15)20/h4-12H,13H2,1-3H3,(H,22,23)/b21-12+
InChIKeyNSCFKODIHWSHPT-CIAFOILYSA-N
XLogP4.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
(2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126120673
N-(4-acetamidophenyl)-N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3425662
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19189842
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide
CID 171131950
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 71950723
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397265
2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19189856
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19659605

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate (CID 6883331) is tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate is CC(C)(C)OC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate?
The InChIKey is NSCFKODIHWSHPT-CIAFOILYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(2,3)25-18(23)22-21-12-14-8-10-16(11-9-14)24-13-15-6-4-5-7-17(15)20/h4-12H,13H2,1-3H3,(H,22,23)/b21-12+.
What are the key properties of tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate?
tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate has a molecular weight of 360.84 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 6883331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).