N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide

C23H30N4O4 — CID 42268804

IUPACN'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N4O4/c1-17-8-9-20(30-2)18(16-17)25-23(29)22(28)24-10-11-26-12-14-27(15-13-26)19-6-4-5-7-21(19)31-3/h4-9,16H,10-15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyKEIAXOUZZWHASP-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.89
Rot. Bonds7

About N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide

N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42268804) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42268804
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N4O4/c1-17-8-9-20(30-2)18(16-17)25-23(29)22(28)24-10-11-26-12-14-27(15-13-26)19-6-4-5-7-21(19)31-3/h4-9,16H,10-15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyKEIAXOUZZWHASP-UHFFFAOYSA-N
XLogP1.89
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268919
N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268937
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
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
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 42268814
N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27487199
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 42268855

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide (CID 42268804) is N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is KEIAXOUZZWHASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-17-8-9-20(30-2)18(16-17)25-23(29)22(28)24-10-11-26-12-14-27(15-13-26)19-6-4-5-7-21(19)31-3/h4-9,16H,10-15H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide?
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 426.52 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42268804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).