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

C23H29N5O4 — CID 42268937

IUPACN'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C23H29N5O4/c1-17(29)25-18-6-5-7-19(16-18)26-23(31)22(30)24-10-11-27-12-14-28(15-13-27)20-8-3-4-9-21(20)32-2/h3-9,16H,10-15H2,1-2H3,(H,24,30)(H,25,29)(H,26,31)
InChIKeyNPWOIINLSHCDFY-UHFFFAOYSA-N
MW439.52 g/mol
LogP1.53
Rot. Bonds7

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

N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42268937) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42268937
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC NameN'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C23H29N5O4/c1-17(29)25-18-6-5-7-19(16-18)26-23(31)22(30)24-10-11-27-12-14-28(15-13-27)20-8-3-4-9-21(20)32-2/h3-9,16H,10-15H2,1-2H3,(H,24,30)(H,25,29)(H,26,31)
InChIKeyNPWOIINLSHCDFY-UHFFFAOYSA-N
XLogP1.53
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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]-N'-(3-methylsulfanylphenyl)oxamide
CID 42268814
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
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-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268915
N'-(2-ethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268863
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]-2,4,6-trimethylbenzamide
CID 42266869
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389638
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389708

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (CID 42268937) is N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is NPWOIINLSHCDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-17(29)25-18-6-5-7-19(16-18)26-23(31)22(30)24-10-11-27-12-14-28(15-13-27)20-8-3-4-9-21(20)32-2/h3-9,16H,10-15H2,1-2H3,(H,24,30)(H,25,29)(H,26,31).
What are the key properties of N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 439.52 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42268937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).