N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide

C25H26N2O4 — CID 19190427

IUPACN-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-19-7-6-10-22(15-19)31-18-25(28)27-26-17-21-11-12-23(24(16-21)29-2)30-14-13-20-8-4-3-5-9-20/h3-12,15-17H,13-14,18H2,1-2H3,(H,27,28)/b26-17+
InChIKeyFUARFCKQDRJOQT-YZSQISJMSA-N
MW418.49 g/mol
LogP4.15
Rot. Bonds10

About N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide

N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 19190427) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID19190427
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-19-7-6-10-22(15-19)31-18-25(28)27-26-17-21-11-12-23(24(16-21)29-2)30-14-13-20-8-4-3-5-9-20/h3-12,15-17H,13-14,18H2,1-2H3,(H,27,28)/b26-17+
InChIKeyFUARFCKQDRJOQT-YZSQISJMSA-N
XLogP4.15
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.15
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

2-(2,4-dimethylphenoxy)-N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]acetamide
CID 19190457
N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19183072
N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19190432
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 19165820
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 19182762
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
CID 19182814
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
2-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 6874166
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide (CID 19190427) is N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide is COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCCc1ccccc1.
What is the InChIKey of N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is FUARFCKQDRJOQT-YZSQISJMSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-19-7-6-10-22(15-19)31-18-25(28)27-26-17-21-11-12-23(24(16-21)29-2)30-14-13-20-8-4-3-5-9-20/h3-12,15-17H,13-14,18H2,1-2H3,(H,27,28)/b26-17+.
What are the key properties of N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 418.49 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 19190427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).