tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate

C15H20F2N2O3 — CID 9074714

IUPACtert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate
SMILESCc1cc(/C=N\NC(=O)OC(C)(C)C)cc(C)c1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-9-6-11(7-10(2)12(9)21-13(16)17)8-18-19-14(20)22-15(3,4)5/h6-8,13H,1-5H3,(H,19,20)/b18-8-
InChIKeyWBSLMGZBIFSYLE-LSCVHKIXSA-N
MW314.33 g/mol
LogP3.76
Rot. Bonds4

About tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate

tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate (PubChem CID 9074714) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate
PubChem CID9074714
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Nametert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate
SMILESCc1cc(/C=N\NC(=O)OC(C)(C)C)cc(C)c1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-9-6-11(7-10(2)12(9)21-13(16)17)8-18-19-14(20)22-15(3,4)5/h6-8,13H,1-5H3,(H,19,20)/b18-8-
InChIKeyWBSLMGZBIFSYLE-LSCVHKIXSA-N
XLogP3.76
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.76
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

tert-butyl N-[(E)-(3,5-difluorophenyl)methylideneamino]carbamate
CID 59016011
N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180158
tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate
CID 6905642
N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide
CID 9015650
ethyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]carbamate
CID 9076015
tert-butyl N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 136831624
tert-butyl N-[[2-hydroxy-3-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl]methylideneamino]carbamate
CID 4557367
tert-butyl N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]carbamate
CID 135648465
tert-butyl N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]carbamate
CID 9074914
tert-butyl N-[(Z)-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]carbamate
CID 9074660
tert-butyl N-[(3-nitrophenyl)methylideneamino]carbamate
CID 687311
tert-butyl N-[(E)-1H-indol-6-ylmethylideneamino]carbamate
CID 71668946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate (CID 9074714) is tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate is Cc1cc(/C=N\NC(=O)OC(C)(C)C)cc(C)c1OC(F)F.
What is the InChIKey of tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate?
The InChIKey is WBSLMGZBIFSYLE-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-9-6-11(7-10(2)12(9)21-13(16)17)8-18-19-14(20)22-15(3,4)5/h6-8,13H,1-5H3,(H,19,20)/b18-8-.
What are the key properties of tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate?
tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate has a molecular weight of 314.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate is sourced from PubChem (CID 9074714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).