N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide

C26H27ClN2O3 — CID 126209044

IUPACN-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C26H27ClN2O3/c1-5-31-25-13-20(15-28-21-9-6-17(2)19(4)12-21)8-11-24(25)32-16-26(30)29-22-10-7-18(3)23(27)14-22/h6-15H,5,16H2,1-4H3,(H,29,30)/b28-15+
InChIKeySRNSDHADCVXISV-RWPZCVJISA-N
MW450.97 g/mol
LogP6.43
Rot. Bonds8

About N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide

N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide (PubChem CID 126209044) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
PubChem CID126209044
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C26H27ClN2O3/c1-5-31-25-13-20(15-28-21-9-6-17(2)19(4)12-21)8-11-24(25)32-16-26(30)29-22-10-7-18(3)23(27)14-22/h6-15H,5,16H2,1-4H3,(H,29,30)/b28-15+
InChIKeySRNSDHADCVXISV-RWPZCVJISA-N
XLogP6.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide (CID 126209044) is N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide is CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide?
The InChIKey is SRNSDHADCVXISV-RWPZCVJISA-N. The full InChI is InChI=1S/C26H27ClN2O3/c1-5-31-25-13-20(15-28-21-9-6-17(2)19(4)12-21)8-11-24(25)32-16-26(30)29-22-10-7-18(3)23(27)14-22/h6-15H,5,16H2,1-4H3,(H,29,30)/b28-15+.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide?
N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide has a molecular weight of 450.97 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide is sourced from PubChem (CID 126209044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).