N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

C22H28N4O3 — CID 108985391

IUPACN-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-25-13-15-26(16-14-25)19-9-7-18(8-10-19)24-22(28)21(27)23-12-11-17-5-3-4-6-20(17)29-2/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYNAWVLIKCXYKMO-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.74
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (PubChem CID 108985391) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
PubChem CID108985391
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-25-13-15-26(16-14-25)19-9-7-18(8-10-19)24-22(28)21(27)23-12-11-17-5-3-4-6-20(17)29-2/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYNAWVLIKCXYKMO-UHFFFAOYSA-N
XLogP1.74
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527615
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108506267
1-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-propylpiperazin-1-yl)phenyl]urea
CID 110620975
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908
N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891852
N'-[4-(dimethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7585527
N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109022061
N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108984636
N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891849
N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 37222450
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7586327
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109025259

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (CID 108985391) is N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is COc1ccccc1CCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The InChIKey is YNAWVLIKCXYKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-25-13-15-26(16-14-25)19-9-7-18(8-10-19)24-22(28)21(27)23-12-11-17-5-3-4-6-20(17)29-2/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide has a molecular weight of 396.49 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108985391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).