[(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate

C16H17N3O2 — CID 5337721

IUPAC[(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate
SMILESCN(C)c1ccc(/C=N/OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)15-10-8-13(9-11-15)12-17-21-16(20)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20)/b17-12+
InChIKeyGFWQVGZOCSTMLG-SFQUDFHCSA-N
MW283.33 g/mol
LogP3.34
Rot. Bonds4

About [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate

[(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate (PubChem CID 5337721) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate.

Molecular Properties

Compound Name[(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate
PubChem CID5337721
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate
SMILESCN(C)c1ccc(/C=N/OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)15-10-8-13(9-11-15)12-17-21-16(20)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20)/b17-12+
InChIKeyGFWQVGZOCSTMLG-SFQUDFHCSA-N
XLogP3.34
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate?
The IUPAC name of [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate (CID 5337721) is [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate.
What is the SMILES notation for [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate?
The canonical SMILES for [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate is CN(C)c1ccc(/C=N/OC(=O)Nc2ccccc2)cc1.
What is the InChIKey of [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate?
The InChIKey is GFWQVGZOCSTMLG-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)15-10-8-13(9-11-15)12-17-21-16(20)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20)/b17-12+.
What are the key properties of [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate?
[(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate has a molecular weight of 283.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(dimethylamino)phenyl]methylideneamino] N-phenylcarbamate is sourced from PubChem (CID 5337721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).