2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide

C25H26N2O4 — CID 18273465

IUPAC2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
SMILESCOc1cc(/C=N/OC(C)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-18-8-7-11-22(14-18)27-25(28)19(2)31-26-16-21-12-13-23(24(15-21)29-3)30-17-20-9-5-4-6-10-20/h4-16,19H,17H2,1-3H3,(H,27,28)/b26-16+
InChIKeyFGDLKEHKNYXAPL-WGOQTCKBSA-N
MW418.49 g/mol
LogP4.96
Rot. Bonds9

About 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide

2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide (PubChem CID 18273465) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
PubChem CID18273465
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
SMILESCOc1cc(/C=N/OC(C)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-18-8-7-11-22(14-18)27-25(28)19(2)31-26-16-21-12-13-23(24(15-21)29-3)30-17-20-9-5-4-6-10-20/h4-16,19H,17H2,1-3H3,(H,27,28)/b26-16+
InChIKeyFGDLKEHKNYXAPL-WGOQTCKBSA-N
XLogP4.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide
CID 18227611
N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843
(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7699307
(2S)-2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7702289
(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 129449168
N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)-2-methylpropanediamide
CID 3424197
N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 3894304
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6148632
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196707
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide (CID 18273465) is 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide is COc1cc(/C=N/OC(C)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
The InChIKey is FGDLKEHKNYXAPL-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18-8-7-11-22(14-18)27-25(28)19(2)31-26-16-21-12-13-23(24(15-21)29-3)30-17-20-9-5-4-6-10-20/h4-16,19H,17H2,1-3H3,(H,27,28)/b26-16+.
What are the key properties of 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide has a molecular weight of 418.49 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 18273465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).