N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide

C23H29N3O3 — CID 16892238

IUPACN'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-6-11-21(29-2)20(16-17)25-23(28)22(27)24-13-12-18-7-9-19(10-8-18)26-14-4-3-5-15-26/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGIVNYHNMFILQDU-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.29
Rot. Bonds6

About N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide

N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide (PubChem CID 16892238) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
PubChem CID16892238
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-6-11-21(29-2)20(16-17)25-23(28)22(27)24-13-12-18-7-9-19(10-8-18)26-14-4-3-5-15-26/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGIVNYHNMFILQDU-UHFFFAOYSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
N'-(4-methyl-2-nitrophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891617
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 16891910
N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892103
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113177176
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108513847
1-N'-(2-methoxy-5-methylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983207
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
N'-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891687
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide (CID 16892238) is N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide?
The InChIKey is GIVNYHNMFILQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-6-11-21(29-2)20(16-17)25-23(28)22(27)24-13-12-18-7-9-19(10-8-18)26-14-4-3-5-15-26/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide?
N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide has a molecular weight of 395.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16892238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).