N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide

C19H23N3O3 — CID 11210019

IUPACN'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide
SMILESCOc1cc(C)ccc1CNC(=O)C(=O)NCCc1ccc(C)cn1
InChIInChI=1S/C19H23N3O3/c1-13-4-6-15(17(10-13)25-3)12-22-19(24)18(23)20-9-8-16-7-5-14(2)11-21-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyGDMDCNCFVKXNAN-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.68
Rot. Bonds6

About N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide

N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide (PubChem CID 11210019) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide
PubChem CID11210019
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide
SMILESCOc1cc(C)ccc1CNC(=O)C(=O)NCCc1ccc(C)cn1
InChIInChI=1S/C19H23N3O3/c1-13-4-6-15(17(10-13)25-3)12-22-19(24)18(23)20-9-8-16-7-5-14(2)11-21-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyGDMDCNCFVKXNAN-UHFFFAOYSA-N
XLogP1.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide?
The IUPAC name of N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide (CID 11210019) is N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide.
What is the SMILES notation for N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide?
The canonical SMILES for N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide is COc1cc(C)ccc1CNC(=O)C(=O)NCCc1ccc(C)cn1.
What is the InChIKey of N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide?
The InChIKey is GDMDCNCFVKXNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-4-6-15(17(10-13)25-3)12-22-19(24)18(23)20-9-8-16-7-5-14(2)11-21-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide?
N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide has a molecular weight of 341.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide is sourced from PubChem (CID 11210019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).