2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide

C21H26ClNO3 — CID 17094710

IUPAC2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C21H26ClNO3/c1-3-4-5-6-12-25-18-9-7-8-17(14-18)23-21(24)15-26-19-10-11-20(22)16(2)13-19/h7-11,13-14H,3-6,12,15H2,1-2H3,(H,23,24)
InChIKeyPPRCGLMUXHYAKP-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.63
Rot. Bonds10

About 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide (PubChem CID 17094710) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
PubChem CID17094710
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C21H26ClNO3/c1-3-4-5-6-12-25-18-9-7-8-17(14-18)23-21(24)15-26-19-10-11-20(22)16(2)13-19/h7-11,13-14H,3-6,12,15H2,1-2H3,(H,23,24)
InChIKeyPPRCGLMUXHYAKP-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

N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733300
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
CID 17095041
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide (CID 17094710) is 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide is CCCCCCOc1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide?
The InChIKey is PPRCGLMUXHYAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-3-4-5-6-12-25-18-9-7-8-17(14-18)23-21(24)15-26-19-10-11-20(22)16(2)13-19/h7-11,13-14H,3-6,12,15H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)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 2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide is sourced from PubChem (CID 17094710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).