2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide

C21H25ClN2O4 — CID 19190317

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(C)C
InChIInChI=1S/C21H25ClN2O4/c1-13(2)28-18-7-6-16(10-19(18)26-5)11-23-24-20(25)12-27-17-8-14(3)21(22)15(4)9-17/h6-11,13H,12H2,1-5H3,(H,24,25)/b23-11+
InChIKeyUOFXCSFIDYDURM-FOKLQQMPSA-N
MW404.89 g/mol
LogP4.28
Rot. Bonds8

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide (PubChem CID 19190317) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
PubChem CID19190317
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(C)C
InChIInChI=1S/C21H25ClN2O4/c1-13(2)28-18-7-6-16(10-19(18)26-5)11-23-24-20(25)12-27-17-8-14(3)21(22)15(4)9-17/h6-11,13H,12H2,1-5H3,(H,24,25)/b23-11+
InChIKeyUOFXCSFIDYDURM-FOKLQQMPSA-N
XLogP4.28
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.28
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-chloro-3,5-dimethylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190069
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 19189648
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 19208380
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 5419197
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1014844
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5433203
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136671547
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54784560
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9316746
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 6308194

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide (CID 19190317) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(C)C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The InChIKey is UOFXCSFIDYDURM-FOKLQQMPSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-13(2)28-18-7-6-16(10-19(18)26-5)11-23-24-20(25)12-27-17-8-14(3)21(22)15(4)9-17/h6-11,13H,12H2,1-5H3,(H,24,25)/b23-11+.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide has a molecular weight of 404.89 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19190317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).