N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide

C24H32N4O4 — CID 16891849

IUPACN'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCCc2ccc(N3CCN(C)CC3)cc2)cc1OC
InChIInChI=1S/C24H32N4O4/c1-27-13-15-28(16-14-27)20-9-6-18(7-10-20)5-4-12-25-23(29)24(30)26-19-8-11-21(31-2)22(17-19)32-3/h6-11,17H,4-5,12-16H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyVJLHVWKDOKMWRH-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.14
Rot. Bonds8

About N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide

N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide (PubChem CID 16891849) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
PubChem CID16891849
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCCc2ccc(N3CCN(C)CC3)cc2)cc1OC
InChIInChI=1S/C24H32N4O4/c1-27-13-15-28(16-14-27)20-9-6-18(7-10-20)5-4-12-25-23(29)24(30)26-19-8-11-21(31-2)22(17-19)32-3/h6-11,17H,4-5,12-16H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyVJLHVWKDOKMWRH-UHFFFAOYSA-N
XLogP2.14
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892103
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108506267
N'-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891687
N'-(3-fluorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891835
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891852
N'-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268704
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108985391
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
CID 5210710

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide (CID 16891849) is N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide is COc1ccc(NC(=O)C(=O)NCCCc2ccc(N3CCN(C)CC3)cc2)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide?
The InChIKey is VJLHVWKDOKMWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-27-13-15-28(16-14-27)20-9-6-18(7-10-20)5-4-12-25-23(29)24(30)26-19-8-11-21(31-2)22(17-19)32-3/h6-11,17H,4-5,12-16H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide?
N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide has a molecular weight of 440.54 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide is sourced from PubChem (CID 16891849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).