N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide

C18H21N3O4 — CID 11739408

IUPACN'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCCc2ccccn2)c(OC)c1
InChIInChI=1S/C18H21N3O4/c1-24-15-7-6-13(16(11-15)25-2)12-21-18(23)17(22)20-10-8-14-5-3-4-9-19-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHETCYFFYGYGQSP-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.07
Rot. Bonds7

About N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide

N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide (PubChem CID 11739408) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
PubChem CID11739408
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCCc2ccccn2)c(OC)c1
InChIInChI=1S/C18H21N3O4/c1-24-15-7-6-13(16(11-15)25-2)12-21-18(23)17(22)20-10-8-14-5-3-4-9-19-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHETCYFFYGYGQSP-UHFFFAOYSA-N
XLogP1.07
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
The IUPAC name of N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide (CID 11739408) is N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide.
What is the SMILES notation for N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
The canonical SMILES for N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide is COc1ccc(CNC(=O)C(=O)NCCc2ccccn2)c(OC)c1.
What is the InChIKey of N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
The InChIKey is HETCYFFYGYGQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-15-7-6-13(16(11-15)25-2)12-21-18(23)17(22)20-10-8-14-5-3-4-9-19-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide has a molecular weight of 343.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide is sourced from PubChem (CID 11739408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).