tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate

C15H22N2O2 — CID 9074587

IUPACtert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate
SMILESCC/C(=N/NC(=O)OC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O2/c1-6-13(12-9-7-11(2)8-10-12)16-17-14(18)19-15(3,4)5/h7-10H,6H2,1-5H3,(H,17,18)/b16-13-
InChIKeyCQLNZPGHXYRCKK-SSZFMOIBSA-N
MW262.35 g/mol
LogP3.63
Rot. Bonds3

About tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate

tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate (PubChem CID 9074587) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate
PubChem CID9074587
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate
SMILESCC/C(=N/NC(=O)OC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O2/c1-6-13(12-9-7-11(2)8-10-12)16-17-14(18)19-15(3,4)5/h7-10H,6H2,1-5H3,(H,17,18)/b16-13-
InChIKeyCQLNZPGHXYRCKK-SSZFMOIBSA-N
XLogP3.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.63
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-[(Z)-[amino-(4-methylphenyl)methylidene]amino]carbamate
CID 50998868
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
ethyl (4E)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-4-phenylbutanoate
CID 175490254
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
tert-butyl N-[[1-amino-2-(4-methylphenyl)ethylidene]amino]carbamate
CID 57366789
tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9074515
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
CID 124927744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate (CID 9074587) is tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate is CC/C(=N/NC(=O)OC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate?
The InChIKey is CQLNZPGHXYRCKK-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-6-13(12-9-7-11(2)8-10-12)16-17-14(18)19-15(3,4)5/h7-10H,6H2,1-5H3,(H,17,18)/b16-13-.
What are the key properties of tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate?
tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.63, 3 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-(4-methylphenyl)propylideneamino]carbamate is sourced from PubChem (CID 9074587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).