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

C24H32N4O3 — CID 42389708

IUPACN'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)C(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N4O3/c1-18-8-6-9-20(19(18)2)26-24(30)23(29)25-12-7-13-27-14-16-28(17-15-27)21-10-4-5-11-22(21)31-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyGJZZVXWLDLRUBT-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.58
Rot. Bonds7

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

N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide (PubChem CID 42389708) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
PubChem CID42389708
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)C(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N4O3/c1-18-8-6-9-20(19(18)2)26-24(30)23(29)25-12-7-13-27-14-16-28(17-15-27)21-10-4-5-11-22(21)31-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyGJZZVXWLDLRUBT-UHFFFAOYSA-N
XLogP2.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide
CID 8687125
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-[(2,3-dimethylphenyl)carbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 9249225
1-(2-bromophenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 23609325
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268919
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268937

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide (CID 42389708) is N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide is COc1ccccc1N1CCN(CCCNC(=O)C(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
The InChIKey is GJZZVXWLDLRUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18-8-6-9-20(19(18)2)26-24(30)23(29)25-12-7-13-27-14-16-28(17-15-27)21-10-4-5-11-22(21)31-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide has a molecular weight of 424.55 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide is sourced from PubChem (CID 42389708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).