N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide

C24H23ClN2O4 — CID 19165820

IUPACN-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H23ClN2O4/c1-17-6-5-8-20(12-17)30-16-24(28)27-26-14-18-10-11-22(23(13-18)29-2)31-15-19-7-3-4-9-21(19)25/h3-14H,15-16H2,1-2H3,(H,27,28)/b26-14+
InChIKeyIJOAEGYTONQCDB-VULFUBBASA-N
MW438.91 g/mol
LogP4.77
Rot. Bonds9

About N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide

N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 19165820) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID19165820
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC NameN-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H23ClN2O4/c1-17-6-5-8-20(12-17)30-16-24(28)27-26-14-18-10-11-22(23(13-18)29-2)31-15-19-7-3-4-9-21(19)25/h3-14H,15-16H2,1-2H3,(H,27,28)/b26-14+
InChIKeyIJOAEGYTONQCDB-VULFUBBASA-N
XLogP4.77
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 54.77
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-(4-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169684
2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190363
2-(3-chlorophenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19190403
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 19190115
N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 19190427
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 25252437
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-cyanoacetamide
CID 5350121
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126370963
2-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
2-(2-bromo-4-methylphenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19190410
2-(2-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190146
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 71950723

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide (CID 19165820) is N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide is COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCc1ccccc1Cl.
What is the InChIKey of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is IJOAEGYTONQCDB-VULFUBBASA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-17-6-5-8-20(12-17)30-16-24(28)27-26-14-18-10-11-22(23(13-18)29-2)31-15-19-7-3-4-9-21(19)25/h3-14H,15-16H2,1-2H3,(H,27,28)/b26-14+.
What are the key properties of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 438.91 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 19165820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).