N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide

C21H26ClNO3 — CID 4733300

IUPACN-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide
SMILESCCCCCCOc1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C21H26ClNO3/c1-3-4-5-6-12-25-18-8-7-9-19(14-18)26-15-21(24)23-17-11-10-16(2)20(22)13-17/h7-11,13-14H,3-6,12,15H2,1-2H3,(H,23,24)
InChIKeyOVIMGTVAODTARE-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.63
Rot. Bonds10

About N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide

N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide (PubChem CID 4733300) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide
PubChem CID4733300
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide
SMILESCCCCCCOc1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C21H26ClNO3/c1-3-4-5-6-12-25-18-8-7-9-19(14-18)26-15-21(24)23-17-11-10-16(2)20(22)13-17/h7-11,13-14H,3-6,12,15H2,1-2H3,(H,23,24)
InChIKeyOVIMGTVAODTARE-UHFFFAOYSA-N
XLogP5.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707298
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide
CID 4733397
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733346
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
hexyl 4-[[2-(3-chlorophenoxy)acetyl]amino]benzoate
CID 19165925

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide (CID 4733300) is N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide is CCCCCCOc1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide?
The InChIKey is OVIMGTVAODTARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-3-4-5-6-12-25-18-8-7-9-19(14-18)26-15-21(24)23-17-11-10-16(2)20(22)13-17/h7-11,13-14H,3-6,12,15H2,1-2H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide?
N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide has a molecular weight of 375.90 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide is sourced from PubChem (CID 4733300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).