N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide

C21H33N3O4 — CID 55987097

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide
SMILESCCOCCOC(C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C21H33N3O4/c1-5-27-13-14-28-18(4)21(26)24-11-9-23(10-12-24)15-19(25)22-20-16(2)7-6-8-17(20)3/h6-8,18H,5,9-15H2,1-4H3,(H,22,25)
InChIKeyFOOBTJVRAWATQV-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.83
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide (PubChem CID 55987097) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide
PubChem CID55987097
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide
SMILESCCOCCOC(C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C21H33N3O4/c1-5-27-13-14-28-18(4)21(26)24-11-9-23(10-12-24)15-19(25)22-20-16(2)7-6-8-17(20)3/h6-8,18H,5,9-15H2,1-4H3,(H,22,25)
InChIKeyFOOBTJVRAWATQV-UHFFFAOYSA-N
XLogP1.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide
CID 30289764
N-(2,6-dimethylphenyl)-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 46407772
N-(2,6-dimethylphenyl)-2-[4-(3-methyl-2-phenylpentanoyl)piperazin-1-yl]acetamide
CID 78798955
N-(2,6-dimethylphenyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
CID 119833398
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
CID 27850735
2-[4-[(2R)-2-benzylsulfanylpropanoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51959190
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56538556
N-(2,3-dimethylphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 18116033
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide (CID 55987097) is N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide is CCOCCOC(C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is FOOBTJVRAWATQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-5-27-13-14-28-18(4)21(26)24-11-9-23(10-12-24)15-19(25)22-20-16(2)7-6-8-17(20)3/h6-8,18H,5,9-15H2,1-4H3,(H,22,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 391.51 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-(2-ethoxyethoxy)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55987097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).