N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide

C25H23N3O4 — CID 18227611

IUPACN-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1cc(/C=N/OC(C)C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-18(25(29)28-22-10-6-9-20(13-22)15-26)32-27-16-21-11-12-23(24(14-21)30-2)31-17-19-7-4-3-5-8-19/h3-14,16,18H,17H2,1-2H3,(H,28,29)/b27-16+
InChIKeyJPHXKXAQSUBJOD-JVWAILMASA-N
MW429.48 g/mol
LogP4.52
Rot. Bonds9

About N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide

N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide (PubChem CID 18227611) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide
PubChem CID18227611
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1cc(/C=N/OC(C)C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-18(25(29)28-22-10-6-9-20(13-22)15-26)32-27-16-21-11-12-23(24(14-21)30-2)31-17-19-7-4-3-5-8-19/h3-14,16,18H,17H2,1-2H3,(H,28,29)/b27-16+
InChIKeyJPHXKXAQSUBJOD-JVWAILMASA-N
XLogP4.52
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 18273465
(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7669953
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843
N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6148632
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate
CID 7278196
3-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]benzoic acid
CID 23283388
3-[[2-methoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 17245967
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196707
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2457929
3-[1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]benzonitrile
CID 4304437

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide (CID 18227611) is N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide is COc1cc(/C=N/OC(C)C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide?
The InChIKey is JPHXKXAQSUBJOD-JVWAILMASA-N. The full InChI is InChI=1S/C25H23N3O4/c1-18(25(29)28-22-10-6-9-20(13-22)15-26)32-27-16-21-11-12-23(24(14-21)30-2)31-17-19-7-4-3-5-8-19/h3-14,16,18H,17H2,1-2H3,(H,28,29)/b27-16+.
What are the key properties of N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide?
N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide has a molecular weight of 429.48 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 18227611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).