2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide

C24H23ClN2O4 — CID 19190363

IUPAC2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1ccccc1C
InChIInChI=1S/C24H23ClN2O4/c1-17-6-3-4-7-19(17)15-31-22-11-10-18(12-23(22)29-2)14-26-27-24(28)16-30-21-9-5-8-20(25)13-21/h3-14H,15-16H2,1-2H3,(H,27,28)/b26-14+
InChIKeyUXKACIUQVRCJBC-VULFUBBASA-N
MW438.91 g/mol
LogP4.77
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 19190363) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID19190363
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1ccccc1C
InChIInChI=1S/C24H23ClN2O4/c1-17-6-3-4-7-19(17)15-31-22-11-10-18(12-23(22)29-2)14-26-27-24(28)16-30-21-9-5-8-20(25)13-21/h3-14H,15-16H2,1-2H3,(H,27,28)/b26-14+
InChIKeyUXKACIUQVRCJBC-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-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
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-(3-methylphenoxy)acetamide
CID 19165820
2-(2-ethylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19183036
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19190352
2-(3-chlorophenoxy)-N-[(E)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126027473
[4-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 71952291
2-(4-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169684
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
2-(3-chlorophenoxy)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 19165680
2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19208463
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide (CID 19190363) is 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide is COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OCc1ccccc1C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is UXKACIUQVRCJBC-VULFUBBASA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-17-6-3-4-7-19(17)15-31-22-11-10-18(12-23(22)29-2)14-26-27-24(28)16-30-21-9-5-8-20(25)13-21/h3-14H,15-16H2,1-2H3,(H,27,28)/b26-14+.
What are the key properties of 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]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 2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 19190363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).