2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide

C21H20N4O2 — CID 111599308

IUPAC2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
SMILESN/C(=N\CC(=O)Nc1ccccc1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H20N4O2/c22-21(23-15-20(26)24-16-8-3-1-4-9-16)25-17-10-7-13-19(14-17)27-18-11-5-2-6-12-18/h1-14H,15H2,(H,24,26)(H3,22,23,25)
InChIKeyFYXJUXOJSSCQQE-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.84
Rot. Bonds6

About 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide

2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide (PubChem CID 111599308) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
PubChem CID111599308
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
SMILESN/C(=N\CC(=O)Nc1ccccc1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H20N4O2/c22-21(23-15-20(26)24-16-8-3-1-4-9-16)25-17-10-7-13-19(14-17)27-18-11-5-2-6-12-18/h1-14H,15H2,(H,24,26)(H3,22,23,25)
InChIKeyFYXJUXOJSSCQQE-UHFFFAOYSA-N
XLogP3.84
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111599646
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250
2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598749
3-[[amino-(3-phenoxyanilino)methylidene]amino]-2,2-dimethylpropanamide
CID 111599274
methyl N-[4-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]carbamate
CID 111599050
2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine
CID 111599634
2-(2-ethyl-2-hydroxybutyl)-1-(3-phenoxyphenyl)guanidine
CID 111599830
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111598315

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide?
The IUPAC name of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide (CID 111599308) is 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide is N/C(=N\CC(=O)Nc1ccccc1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide?
The InChIKey is FYXJUXOJSSCQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-21(23-15-20(26)24-16-8-3-1-4-9-16)25-17-10-7-13-19(14-17)27-18-11-5-2-6-12-18/h1-14H,15H2,(H,24,26)(H3,22,23,25).
What are the key properties of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide?
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide has a molecular weight of 360.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide is sourced from PubChem (CID 111599308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).