N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide

C21H27NO2 — CID 26163356

IUPACN-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C21H27NO2/c1-3-4-5-8-15-24-20-13-11-19(12-14-20)22-21(23)16-18-10-7-6-9-17(18)2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,22,23)
InChIKeyCETDUELEXCUMTL-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.14
Rot. Bonds9

About N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide

N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide (PubChem CID 26163356) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
PubChem CID26163356
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C21H27NO2/c1-3-4-5-8-15-24-20-13-11-19(12-14-20)22-21(23)16-18-10-7-6-9-17(18)2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,22,23)
InChIKeyCETDUELEXCUMTL-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide
CID 43877403
4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163669
4-hexoxy-N-[(2-methylphenyl)methyl]aniline
CID 54798876
N-(4-decoxyphenyl)butanamide
CID 143303175
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
2-(2-methylphenyl)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 26163358
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 26163422

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide (CID 26163356) is N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide is CCCCCCOc1ccc(NC(=O)Cc2ccccc2C)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide?
The InChIKey is CETDUELEXCUMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-4-5-8-15-24-20-13-11-19(12-14-20)22-21(23)16-18-10-7-6-9-17(18)2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,22,23).
What are the key properties of N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide?
N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide has a molecular weight of 325.45 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 26163356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).