N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide

C18H27N3O2 — CID 108507347

IUPACN'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide
SMILESCCN(C(=O)C(=O)N(C)C1CCN(C)CC1)c1cccc(C)c1
InChIInChI=1S/C18H27N3O2/c1-5-21(16-8-6-7-14(2)13-16)18(23)17(22)20(4)15-9-11-19(3)12-10-15/h6-8,13,15H,5,9-12H2,1-4H3
InChIKeyTWUXSUBQJMWLLZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.90
Rot. Bonds3

About N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide

N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide (PubChem CID 108507347) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide
PubChem CID108507347
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide
SMILESCCN(C(=O)C(=O)N(C)C1CCN(C)CC1)c1cccc(C)c1
InChIInChI=1S/C18H27N3O2/c1-5-21(16-8-6-7-14(2)13-16)18(23)17(22)20(4)15-9-11-19(3)12-10-15/h6-8,13,15H,5,9-12H2,1-4H3
InChIKeyTWUXSUBQJMWLLZ-UHFFFAOYSA-N
XLogP1.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-ethyl-N-methyl-N'-(3-methylphenyl)oxamide
CID 108503849
2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide
CID 108520654
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562
N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507557
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid
CID 61206742
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138353
N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane
CID 167711519
N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108952293
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide?
The IUPAC name of N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide (CID 108507347) is N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide is CCN(C(=O)C(=O)N(C)C1CCN(C)CC1)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide?
The InChIKey is TWUXSUBQJMWLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-21(16-8-6-7-14(2)13-16)18(23)17(22)20(4)15-9-11-19(3)12-10-15/h6-8,13,15H,5,9-12H2,1-4H3.
What are the key properties of N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide?
N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide has a molecular weight of 317.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108507347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).