2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

C23H31N3O2 — CID 34193676

IUPAC2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)COc3c(C)cccc3C)c(C)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-5-25-11-13-26(14-12-25)20-9-10-21(19(4)15-20)24-22(27)16-28-23-17(2)7-6-8-18(23)3/h6-10,15H,5,11-14,16H2,1-4H3,(H,24,27)
InChIKeyQERNKGSZRGHWKT-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.77
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide (PubChem CID 34193676) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
PubChem CID34193676
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)COc3c(C)cccc3C)c(C)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-5-25-11-13-26(14-12-25)20-9-10-21(19(4)15-20)24-22(27)16-28-23-17(2)7-6-8-18(23)3/h6-10,15H,5,11-14,16H2,1-4H3,(H,24,27)
InChIKeyQERNKGSZRGHWKT-UHFFFAOYSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
CID 102603576
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-fluorophenyl)acetamide
CID 24571040
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-fluorophenyl)propanamide
CID 36565619
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 48741053
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24571057
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
CID 37321688
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
2-(2-chlorophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 31288745
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 37252743

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide (CID 34193676) is 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide is CCN1CCN(c2ccc(NC(=O)COc3c(C)cccc3C)c(C)c2)CC1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The InChIKey is QERNKGSZRGHWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-25-11-13-26(14-12-25)20-9-10-21(19(4)15-20)24-22(27)16-28-23-17(2)7-6-8-18(23)3/h6-10,15H,5,11-14,16H2,1-4H3,(H,24,27).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 34193676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).