N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide

C18H21NO2 — CID 86871191

IUPACN-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
SMILESCc1cccc(C)c1NC(=O)COCCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14-7-6-8-15(2)18(14)19-17(20)13-21-12-11-16-9-4-3-5-10-16/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyRDCSIVSRGVSWET-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.50
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide

N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide (PubChem CID 86871191) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
PubChem CID86871191
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
SMILESCc1cccc(C)c1NC(=O)COCCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14-7-6-8-15(2)18(14)19-17(20)13-21-12-11-16-9-4-3-5-10-16/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyRDCSIVSRGVSWET-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.50
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-(2,6-dimethylphenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828309
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
N-(2-ethyl-6-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678275
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
1-(2,6-dimethylphenyl)-3-[N'-methyl-N-[2-(2-phenylethoxy)ethyl]carbamimidoyl]urea
CID 54045288
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
2-(2-phenylethoxy)-N-quinolin-5-ylacetamide
CID 86871261
N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
CID 114988878
2-[[2-(2-benzylphenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 24680148
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841558
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 27244251

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide (CID 86871191) is N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide is Cc1cccc(C)c1NC(=O)COCCc1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide?
The InChIKey is RDCSIVSRGVSWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-7-6-8-15(2)18(14)19-17(20)13-21-12-11-16-9-4-3-5-10-16/h3-10H,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide?
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide has a molecular weight of 283.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide is sourced from PubChem (CID 86871191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).