2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide

C27H29N3O5 — CID 42971257

IUPAC2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1cc(/C=N/OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C27H29N3O5/c1-32-26-17-22(7-12-25(26)34-19-21-5-3-2-4-6-21)18-28-35-20-27(31)29-23-8-10-24(11-9-23)30-13-15-33-16-14-30/h2-12,17-18H,13-16,19-20H2,1H3,(H,29,31)/b28-18+
InChIKeyMKLQSBUNJXYLNI-MTDXEUNCSA-N
MW475.55 g/mol
LogP4.10
Rot. Bonds10

About 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide

2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 42971257) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID42971257
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1cc(/C=N/OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C27H29N3O5/c1-32-26-17-22(7-12-25(26)34-19-21-5-3-2-4-6-21)18-28-35-20-27(31)29-23-8-10-24(11-9-23)30-13-15-33-16-14-30/h2-12,17-18H,13-16,19-20H2,1H3,(H,29,31)/b28-18+
InChIKeyMKLQSBUNJXYLNI-MTDXEUNCSA-N
XLogP4.10
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone
CID 7669475
N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 3894304
2-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 126380130
N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 24607111
2-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 3881838
2-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548221
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 126380354
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 42967732
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide (CID 42971257) is 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide is COc1cc(/C=N/OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is MKLQSBUNJXYLNI-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-32-26-17-22(7-12-25(26)34-19-21-5-3-2-4-6-21)18-28-35-20-27(31)29-23-8-10-24(11-9-23)30-13-15-33-16-14-30/h2-12,17-18H,13-16,19-20H2,1H3,(H,29,31)/b28-18+.
What are the key properties of 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 475.55 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 42971257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).