N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide

C24H32N4O5 — CID 42390322

IUPACN'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(OC)cc3OC)CC2)cc1
InChIInChI=1S/C24H32N4O5/c1-31-19-7-5-18(6-8-19)28-15-13-27(14-16-28)12-4-11-25-23(29)24(30)26-21-10-9-20(32-2)17-22(21)33-3/h5-10,17H,4,11-16H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyIAFGBXLOCJVFPS-UHFFFAOYSA-N
MW456.54 g/mol
LogP1.98
Rot. Bonds9

About N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide

N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide (PubChem CID 42390322) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
PubChem CID42390322
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(OC)cc3OC)CC2)cc1
InChIInChI=1S/C24H32N4O5/c1-31-19-7-5-18(6-8-19)28-15-13-27(14-16-28)12-4-11-25-23(29)24(30)26-21-10-9-20(32-2)17-22(21)33-3/h5-10,17H,4,11-16H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyIAFGBXLOCJVFPS-UHFFFAOYSA-N
XLogP1.98
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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'-(2,4-dimethoxyphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389638
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
N'-(3,5-dimethylphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390295
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 16891910
N'-(2,4-dimethoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892164
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 22430341
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390316
1-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 100616341
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N'-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268515

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide (CID 42390322) is N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide is COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(OC)cc3OC)CC2)cc1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
The InChIKey is IAFGBXLOCJVFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-31-19-7-5-18(6-8-19)28-15-13-27(14-16-28)12-4-11-25-23(29)24(30)26-21-10-9-20(32-2)17-22(21)33-3/h5-10,17H,4,11-16H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide has a molecular weight of 456.54 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide is sourced from PubChem (CID 42390322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).