2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide

C26H34Cl2N2O4 — CID 17233325

IUPAC2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
SMILESCc1cc(OCC(=O)NCCCCCCCCNC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C26H34Cl2N2O4/c1-19-15-21(9-11-23(19)27)33-17-25(31)29-13-7-5-3-4-6-8-14-30-26(32)18-34-22-10-12-24(28)20(2)16-22/h9-12,15-16H,3-8,13-14,17-18H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyCCDWSXAWPRZVFK-UHFFFAOYSA-N
MW509.47 g/mol
LogP5.64
Rot. Bonds15

About 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide (PubChem CID 17233325) has the molecular formula C26H34Cl2N2O4 and a molecular weight of 509.47 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
PubChem CID17233325
Molecular FormulaC26H34Cl2N2O4
Molecular Weight509.47 g/mol
Exact Mass508.19
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
SMILESCc1cc(OCC(=O)NCCCCCCCCNC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C26H34Cl2N2O4/c1-19-15-21(9-11-23(19)27)33-17-25(31)29-13-7-5-3-4-6-8-14-30-26(32)18-34-22-10-12-24(28)20(2)16-22/h9-12,15-16H,3-8,13-14,17-18H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyCCDWSXAWPRZVFK-UHFFFAOYSA-N
XLogP5.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.47
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
CID 119497344
2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
CID 55713003
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111434042
2-(4-chloro-3,5-dimethylphenoxy)-N-hexadecylacetamide
CID 3539927
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 55747351
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide (CID 17233325) is 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide is Cc1cc(OCC(=O)NCCCCCCCCNC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide?
The InChIKey is CCDWSXAWPRZVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2N2O4/c1-19-15-21(9-11-23(19)27)33-17-25(31)29-13-7-5-3-4-6-8-14-30-26(32)18-34-22-10-12-24(28)20(2)16-22/h9-12,15-16H,3-8,13-14,17-18H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide has a molecular weight of 509.47 g/mol, XLogP of 5.64, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide is sourced from PubChem (CID 17233325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).