2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide

C20H23ClN2O5 — CID 5433203

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c(OC)cc1/C=N\NC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O5/c1-12-6-15(7-13(2)20(12)21)28-11-19(24)23-22-10-14-8-17(26-4)18(27-5)9-16(14)25-3/h6-10H,11H2,1-5H3,(H,23,24)/b22-10-
InChIKeyOBTNWXODKSJIBP-YVNNLAQVSA-N
MW406.87 g/mol
LogP3.51
Rot. Bonds8

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 5433203) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID5433203
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c(OC)cc1/C=N\NC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O5/c1-12-6-15(7-13(2)20(12)21)28-11-19(24)23-22-10-14-8-17(26-4)18(27-5)9-16(14)25-3/h6-10H,11H2,1-5H3,(H,23,24)/b22-10-
InChIKeyOBTNWXODKSJIBP-YVNNLAQVSA-N
XLogP3.51
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.51
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-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1014844
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54784560
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5419126
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661557
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 917786
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 917797
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 19190317
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 5419197
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 135604322

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 5433203) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(OC)c(OC)cc1/C=N\NC(=O)COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is OBTNWXODKSJIBP-YVNNLAQVSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-12-6-15(7-13(2)20(12)21)28-11-19(24)23-22-10-14-8-17(26-4)18(27-5)9-16(14)25-3/h6-10H,11H2,1-5H3,(H,23,24)/b22-10-.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 406.87 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5433203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).