3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide

C25H26N4O4 — CID 56502458

IUPAC3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CO/N=C(/N)c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H26N4O4/c1-29(2)25(31)19-11-8-12-20(15-19)27-23(30)17-33-28-24(26)21-13-6-7-14-22(21)32-16-18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H2,26,28)(H,27,30)
InChIKeyRUSHBQRENWMALH-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.24
Rot. Bonds9

About 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide

3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide (PubChem CID 56502458) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide
PubChem CID56502458
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CO/N=C(/N)c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H26N4O4/c1-29(2)25(31)19-11-8-12-20(15-19)27-23(30)17-33-28-24(26)21-13-6-7-14-22(21)32-16-18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H2,26,28)(H,27,30)
InChIKeyRUSHBQRENWMALH-UHFFFAOYSA-N
XLogP3.24
TPSA106.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide
CID 56503994
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide
CID 55863991
3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide
CID 47079159
N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54828122
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
ethyl 4-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55866900
N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide
CID 95303208
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide (CID 56502458) is 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CO/N=C(/N)c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is RUSHBQRENWMALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-29(2)25(31)19-11-8-12-20(15-19)27-23(30)17-33-28-24(26)21-13-6-7-14-22(21)32-16-18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H2,26,28)(H,27,30).
What are the key properties of 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 446.51 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 56502458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).