N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide

C18H21N3O2 — CID 108515686

IUPACN'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H21N3O2/c1-3-21(12-9-15-7-10-19-11-8-15)18(23)17(22)20-16-6-4-5-14(2)13-16/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,20,22)
InChIKeyGMKIZDSKOGJQRC-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.42
Rot. Bonds5

About N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide

N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108515686) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108515686
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H21N3O2/c1-3-21(12-9-15-7-10-19-11-8-15)18(23)17(22)20-16-6-4-5-14(2)13-16/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,20,22)
InChIKeyGMKIZDSKOGJQRC-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-(3-nitrophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108513324
N'-ethyl-N'-(2-pyridin-4-ylethyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512257
N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108512603
N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108522052
N-[3,5-bis(trifluoromethyl)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527377
N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527424
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108521696

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide (CID 108515686) is N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide is CCN(CCc1ccncc1)C(=O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is GMKIZDSKOGJQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-21(12-9-15-7-10-19-11-8-15)18(23)17(22)20-16-6-4-5-14(2)13-16/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,20,22).
What are the key properties of N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide?
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 311.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108515686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).