N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide

C18H28N4O4 — CID 42268802

IUPACN'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOCCNC(=O)C(=O)NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C18H28N4O4/c1-25-14-8-20-18(24)17(23)19-7-9-21-10-12-22(13-11-21)15-5-3-4-6-16(15)26-2/h3-6H,7-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyAFYKHONSZITFLV-UHFFFAOYSA-N
MW364.45 g/mol
LogP-0.30
Rot. Bonds8

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

N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42268802) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42268802
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC NameN'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOCCNC(=O)C(=O)NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C18H28N4O4/c1-25-14-8-20-18(24)17(23)19-7-9-21-10-12-22(13-11-21)15-5-3-4-6-16(15)26-2/h3-6H,7-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyAFYKHONSZITFLV-UHFFFAOYSA-N
XLogP-0.30
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-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'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268919
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268937
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
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]thiophene-3-carboxamide
CID 11725128
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-oxoacetamide
CID 108517573

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (CID 42268802) is N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is COCCNC(=O)C(=O)NCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is AFYKHONSZITFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-25-14-8-20-18(24)17(23)19-7-9-21-10-12-22(13-11-21)15-5-3-4-6-16(15)26-2/h3-6H,7-14H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 364.45 g/mol, XLogP of -0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42268802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).