N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide

C18H21N3O3 — CID 11221120

IUPACN'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
SMILESCOc1cc(C)ccc1CNC(=O)C(=O)NCCc1ccccn1
InChIInChI=1S/C18H21N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDWXUCYSOIKPLJM-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.37
Rot. Bonds6

About N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide

N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide (PubChem CID 11221120) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
PubChem CID11221120
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
SMILESCOc1cc(C)ccc1CNC(=O)C(=O)NCCc1ccccn1
InChIInChI=1S/C18H21N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDWXUCYSOIKPLJM-UHFFFAOYSA-N
XLogP1.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-4-methylphenyl)methylamino]-2-oxoacetic acid
CID 67265253
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970746
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 71157478
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797
3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
CID 23627984
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
The IUPAC name of N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide (CID 11221120) is N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide.
What is the SMILES notation for N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
The canonical SMILES for N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide is COc1cc(C)ccc1CNC(=O)C(=O)NCCc1ccccn1.
What is the InChIKey of N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
The InChIKey is DWXUCYSOIKPLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide has a molecular weight of 327.38 g/mol, XLogP of 1.37, 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-pyridin-2-ylethyl)oxamide is sourced from PubChem (CID 11221120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).