N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide

C24H32N4O3 — CID 16891852

IUPACN'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-27-14-16-28(17-15-27)21-11-9-19(10-12-21)6-5-13-25-23(29)24(30)26-18-20-7-3-4-8-22(20)31-2/h3-4,7-12H,5-6,13-18H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyFQBCYTBETXSPTR-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.81
Rot. Bonds8

About N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide

N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide (PubChem CID 16891852) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
PubChem CID16891852
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-27-14-16-28(17-15-27)21-11-9-19(10-12-21)6-5-13-25-23(29)24(30)26-18-20-7-3-4-8-22(20)31-2/h3-4,7-12H,5-6,13-18H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyFQBCYTBETXSPTR-UHFFFAOYSA-N
XLogP1.81
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 16891265
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108985391
N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891849
N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109022061
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
N'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 94249254
2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 132657777

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide (CID 16891852) is N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCCCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide?
The InChIKey is FQBCYTBETXSPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-27-14-16-28(17-15-27)21-11-9-19(10-12-21)6-5-13-25-23(29)24(30)26-18-20-7-3-4-8-22(20)31-2/h3-4,7-12H,5-6,13-18H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide?
N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide has a molecular weight of 424.55 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide is sourced from PubChem (CID 16891852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).