2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide

C24H24ClNO4 — CID 4958111

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc(C)c1Cl
InChIInChI=1S/C24H24ClNO4/c1-17-14-22(15-18(2)24(17)25)30-16-23(27)26-19-8-10-21(11-9-19)29-13-12-28-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,27)
InChIKeyFYGSOBXXNZYGBB-UHFFFAOYSA-N
MW425.91 g/mol
LogP5.43
Rot. Bonds9

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 4958111) has the molecular formula C24H24ClNO4 and a molecular weight of 425.91 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID4958111
Molecular FormulaC24H24ClNO4
Molecular Weight425.91 g/mol
Exact Mass425.14
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc(C)c1Cl
InChIInChI=1S/C24H24ClNO4/c1-17-14-22(15-18(2)24(17)25)30-16-23(27)26-19-8-10-21(11-9-19)29-13-12-28-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,27)
InChIKeyFYGSOBXXNZYGBB-UHFFFAOYSA-N
XLogP5.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.91
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
CID 732370
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
CID 17296544
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
N-[4-(2-methoxyethoxy)phenyl]-2-(2-methylphenoxy)acetamide
CID 17340393
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130812
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957861

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide (CID 4958111) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is FYGSOBXXNZYGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO4/c1-17-14-22(15-18(2)24(17)25)30-16-23(27)26-19-8-10-21(11-9-19)29-13-12-28-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 425.91 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 4958111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).