tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate

C15H22N2O2 — CID 9074515

IUPACtert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)c1cc(C)ccc1C
InChIInChI=1S/C15H22N2O2/c1-10-7-8-11(2)13(9-10)12(3)16-17-14(18)19-15(4,5)6/h7-9H,1-6H3,(H,17,18)/b16-12-
InChIKeyJHRILNDBBQNDBR-VBKFSLOCSA-N
MW262.35 g/mol
LogP3.55
Rot. Bonds2

About tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate

tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate (PubChem CID 9074515) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
PubChem CID9074515
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)c1cc(C)ccc1C
InChIInChI=1S/C15H22N2O2/c1-10-7-8-11(2)13(9-10)12(3)16-17-14(18)19-15(4,5)6/h7-9H,1-6H3,(H,17,18)/b16-12-
InChIKeyJHRILNDBBQNDBR-VBKFSLOCSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730413
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate
CID 9074784
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate
CID 9074587
tert-butyl N-[(Z)-[amino-(4-methylphenyl)methylidene]amino]carbamate
CID 50998868
tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 7713725
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate (CID 9074515) is tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate is C/C(=N/NC(=O)OC(C)(C)C)c1cc(C)ccc1C.
What is the InChIKey of tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate?
The InChIKey is JHRILNDBBQNDBR-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-7-8-11(2)13(9-10)12(3)16-17-14(18)19-15(4,5)6/h7-9H,1-6H3,(H,17,18)/b16-12-.
What are the key properties of tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate?
tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 9074515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).