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

C23H30N4O3 — CID 42268919

IUPACN'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C23H30N4O3/c1-17-8-9-19(16-18(17)2)25-23(29)22(28)24-10-11-26-12-14-27(15-13-26)20-6-4-5-7-21(20)30-3/h4-9,16H,10-15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyZIFOTGAVHPAALH-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.19
Rot. Bonds6

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

N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42268919) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42268919
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C23H30N4O3/c1-17-8-9-19(16-18(17)2)25-23(29)22(28)24-10-11-26-12-14-27(15-13-26)20-6-4-5-7-21(20)30-3/h4-9,16H,10-15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyZIFOTGAVHPAALH-UHFFFAOYSA-N
XLogP2.19
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268937
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 42268814
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 42268855
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
N'-(2-ethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268863
N'-(2-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268915
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269193
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389708
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (CID 42268919) is N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is ZIFOTGAVHPAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17-8-9-19(16-18(17)2)25-23(29)22(28)24-10-11-26-12-14-27(15-13-26)20-6-4-5-7-21(20)30-3/h4-9,16H,10-15H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 410.52 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42268919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).