N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide

C21H28N2O2 — CID 109001189

IUPACN-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNCCc1ccc(OC)cc1
InChIInChI=1S/C21H28N2O2/c1-4-17-7-6-8-18(5-2)21(17)23-20(24)15-22-14-13-16-9-11-19(25-3)12-10-16/h6-12,22H,4-5,13-15H2,1-3H3,(H,23,24)
InChIKeyDJFGVQILOZFMMY-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.59
Rot. Bonds9

About N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide

N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide (PubChem CID 109001189) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
PubChem CID109001189
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNCCc1ccc(OC)cc1
InChIInChI=1S/C21H28N2O2/c1-4-17-7-6-8-18(5-2)21(17)23-20(24)15-22-14-13-16-9-11-19(25-3)12-10-16/h6-12,22H,4-5,13-15H2,1-3H3,(H,23,24)
InChIKeyDJFGVQILOZFMMY-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001267
N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000450
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109001188
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025794
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948687
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide (CID 109001189) is N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide is CCc1cccc(CC)c1NC(=O)CNCCc1ccc(OC)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
The InChIKey is DJFGVQILOZFMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-17-7-6-8-18(5-2)21(17)23-20(24)15-22-14-13-16-9-11-19(25-3)12-10-16/h6-12,22H,4-5,13-15H2,1-3H3,(H,23,24).
What are the key properties of N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 109001189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).