2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C21H27N3O4 — CID 112978484

IUPAC2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1OC
InChIInChI=1S/C21H27N3O4/c1-23-11-13-24(14-12-23)17-9-7-16(8-10-17)22-20(25)15-28-19-6-4-5-18(26-2)21(19)27-3/h4-10H,11-15H2,1-3H3,(H,22,25)
InChIKeyHSMNCUUHWQULFZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.47
Rot. Bonds7

About 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 112978484) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID112978484
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1OC
InChIInChI=1S/C21H27N3O4/c1-23-11-13-24(14-12-23)17-9-7-16(8-10-17)22-20(25)15-28-19-6-4-5-18(26-2)21(19)27-3/h4-10H,11-15H2,1-3H3,(H,22,25)
InChIKeyHSMNCUUHWQULFZ-UHFFFAOYSA-N
XLogP2.47
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 7491916
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686572
2-(2,3-dimethoxyphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 112978425
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 99119931
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[(2-methoxyphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527615
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550487
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109039569

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 112978484) is 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is COc1cccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is HSMNCUUHWQULFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-23-11-13-24(14-12-23)17-9-7-16(8-10-17)22-20(25)15-28-19-6-4-5-18(26-2)21(19)27-3/h4-10H,11-15H2,1-3H3,(H,22,25).
What are the key properties of 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 112978484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).