3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide

C26H26N4O4 — CID 47079159

IUPAC3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide
SMILESN/C(=N/OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H26N4O4/c27-25(19-9-13-23(14-10-19)33-16-18-5-2-1-3-6-18)30-34-17-24(31)28-22-8-4-7-20(15-22)26(32)29-21-11-12-21/h1-10,13-15,21H,11-12,16-17H2,(H2,27,30)(H,28,31)(H,29,32)
InChIKeyZRLKJKGXYSWZFM-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.43
Rot. Bonds10

About 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide

3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide (PubChem CID 47079159) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide
PubChem CID47079159
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide
SMILESN/C(=N/OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H26N4O4/c27-25(19-9-13-23(14-10-19)33-16-18-5-2-1-3-6-18)30-34-17-24(31)28-22-8-4-7-20(15-22)26(32)29-21-11-12-21/h1-10,13-15,21H,11-12,16-17H2,(H2,27,30)(H,28,31)(H,29,32)
InChIKeyZRLKJKGXYSWZFM-UHFFFAOYSA-N
XLogP3.43
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.43
H-Bond Donors ≤ 53
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'}

Analyze 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 78905703
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 99085781
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 56502458
2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
CID 75264610
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide (CID 47079159) is 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide is N/C(=N/OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is ZRLKJKGXYSWZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c27-25(19-9-13-23(14-10-19)33-16-18-5-2-1-3-6-18)30-34-17-24(31)28-22-8-4-7-20(15-22)26(32)29-21-11-12-21/h1-10,13-15,21H,11-12,16-17H2,(H2,27,30)(H,28,31)(H,29,32).
What are the key properties of 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 458.52 g/mol, XLogP of 3.43, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 47079159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).