N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide

C17H19N3O2 — CID 6862809

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide
SMILESCN(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-20(2)15-10-8-14(9-11-15)12-18-19-17(21)13-22-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,19,21)/b18-12+
InChIKeyBLNHXABCCLZUFM-LDADJPATSA-N
MW297.36 g/mol
LogP2.28
Rot. Bonds6

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide (PubChem CID 6862809) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide
PubChem CID6862809
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide
SMILESCN(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-20(2)15-10-8-14(9-11-15)12-18-19-17(21)13-22-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,19,21)/b18-12+
InChIKeyBLNHXABCCLZUFM-LDADJPATSA-N
XLogP2.28
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.28
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'}

Analyze N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide (CID 6862809) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide is CN(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide?
The InChIKey is BLNHXABCCLZUFM-LDADJPATSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20(2)15-10-8-14(9-11-15)12-18-19-17(21)13-22-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide has a molecular weight of 297.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 6862809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).