N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C27H26ClN3O3 — CID 92657931

IUPACN-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C#N)cc1
InChIInChI=1S/C27H26ClN3O3/c1-4-33-25-13-22(16-30-31-26(32)14-23-10-5-18(2)11-19(23)3)12-24(28)27(25)34-17-21-8-6-20(15-29)7-9-21/h5-13,16H,4,14,17H2,1-3H3,(H,31,32)/b30-16-
InChIKeyXGCOCPUASZDMEY-UHBFCERESA-N
MW475.98 g/mol
LogP5.50
Rot. Bonds9

About N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 92657931) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID92657931
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC NameN-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C#N)cc1
InChIInChI=1S/C27H26ClN3O3/c1-4-33-25-13-22(16-30-31-26(32)14-23-10-5-18(2)11-19(23)3)12-24(28)27(25)34-17-21-8-6-20(15-29)7-9-21/h5-13,16H,4,14,17H2,1-3H3,(H,31,32)/b30-16-
InChIKeyXGCOCPUASZDMEY-UHBFCERESA-N
XLogP5.50
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 55.50
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

N-[(E)-[4-[(4-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144044
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143716
N-[(Z)-[3-bromo-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944891
N-[(E)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368624
2-(2,4-dimethylphenyl)-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133144043
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144006
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944614
N-[(Z)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126177873
4-[[2-chloro-6-ethoxy-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29148378
ethyl N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]carbamate
CID 3793658
methyl 2-[4-[(Z)-[[2-(2,4-dimethylphenyl)acetyl]hydrazinylidene]methyl]-2-ethoxy-6-iodophenoxy]acetate
CID 92657956
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 110515767

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 92657931) is N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C#N)cc1.
What is the InChIKey of N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is XGCOCPUASZDMEY-UHBFCERESA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-4-33-25-13-22(16-30-31-26(32)14-23-10-5-18(2)11-19(23)3)12-24(28)27(25)34-17-21-8-6-20(15-29)7-9-21/h5-13,16H,4,14,17H2,1-3H3,(H,31,32)/b30-16-.
What are the key properties of N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 475.98 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 92657931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).