[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate

C15H14N2O2 — CID 5409159

IUPAC[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)O/N=C\c2ccccc2)cc1
InChIInChI=1S/C15H14N2O2/c1-12-7-9-14(10-8-12)17-15(18)19-16-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b16-11-
InChIKeyPWPYMHWLJMRLSL-WJDWOHSUSA-N
MW254.29 g/mol
LogP3.58
Rot. Bonds3

About [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate

[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate (PubChem CID 5409159) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate
PubChem CID5409159
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)O/N=C\c2ccccc2)cc1
InChIInChI=1S/C15H14N2O2/c1-12-7-9-14(10-8-12)17-15(18)19-16-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b16-11-
InChIKeyPWPYMHWLJMRLSL-WJDWOHSUSA-N
XLogP3.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate
CID 6326497
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
[(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate
CID 141252091
[[4-(2-phenylethynyl)phenyl]methylideneamino] N-[4-(trifluoromethoxy)phenyl]carbamate
CID 2822195
[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
CID 20872751
[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5406979
[(E)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5338215
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
CID 7644163
[(E)-pyridin-3-ylmethylideneamino] N-(4-propoxyphenyl)carbamate
CID 20872731
4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
CID 7705350
(benzylideneamino) N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2726320
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871

Frequently Asked Questions

What is the IUPAC name of [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate?
The IUPAC name of [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate (CID 5409159) is [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate.
What is the SMILES notation for [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate?
The canonical SMILES for [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)O/N=C\c2ccccc2)cc1.
What is the InChIKey of [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate?
The InChIKey is PWPYMHWLJMRLSL-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-12-7-9-14(10-8-12)17-15(18)19-16-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b16-11-.
What are the key properties of [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate?
[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate has a molecular weight of 254.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-benzylideneamino] N-(4-methylphenyl)carbamate is sourced from PubChem (CID 5409159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).