N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide

C21H26N4O3 — CID 51974312

IUPACN'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
SMILESCN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(O)c2)c2ccccc2)CC1
InChIInChI=1S/C21H26N4O3/c1-24-10-12-25(13-11-24)19(16-6-3-2-4-7-16)15-22-20(27)21(28)23-17-8-5-9-18(26)14-17/h2-9,14,19,26H,10-13,15H2,1H3,(H,22,27)(H,23,28)/t19-/m0/s1
InChIKeyUZMNBYAMJFDZMF-IBGZPJMESA-N
MW382.46 g/mol
LogP1.44
Rot. Bonds5

About N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide

N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide (PubChem CID 51974312) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
PubChem CID51974312
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
SMILESCN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(O)c2)c2ccccc2)CC1
InChIInChI=1S/C21H26N4O3/c1-24-10-12-25(13-11-24)19(16-6-3-2-4-7-16)15-22-20(27)21(28)23-17-8-5-9-18(26)14-17/h2-9,14,19,26H,10-13,15H2,1H3,(H,22,27)(H,23,28)/t19-/m0/s1
InChIKeyUZMNBYAMJFDZMF-IBGZPJMESA-N
XLogP1.44
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyloxamide
CID 43996738
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(3-methoxyphenyl)oxamide
CID 30632079
N'-(3-chlorophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30642833
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N'-(3-nitrophenyl)oxamide
CID 16932326
N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
CID 51971264
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-(3-nitrophenyl)oxamide
CID 30774166
N'-(3,4-dimethylphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30632170
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
N'-(3-acetamidophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16802078
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 7384639
N'-(4-acetamidophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18578378
N'-(4-methoxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 8670123

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
The IUPAC name of N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide (CID 51974312) is N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide.
What is the SMILES notation for N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
The canonical SMILES for N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide is CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(O)c2)c2ccccc2)CC1.
What is the InChIKey of N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
The InChIKey is UZMNBYAMJFDZMF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24-10-12-25(13-11-24)19(16-6-3-2-4-7-16)15-22-20(27)21(28)23-17-8-5-9-18(26)14-17/h2-9,14,19,26H,10-13,15H2,1H3,(H,22,27)(H,23,28)/t19-/m0/s1.
What are the key properties of N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide has a molecular weight of 382.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide is sourced from PubChem (CID 51974312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).