2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

C18H22N2O3 — CID 51101796

IUPAC2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOCCOc1ccccc1C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H22N2O3/c1-20(12-9-15-7-10-19-11-8-15)18(21)16-5-3-4-6-17(16)23-14-13-22-2/h3-8,10-11H,9,12-14H2,1-2H3
InChIKeyLBYMCQYIKAABQF-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.42
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 51101796) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID51101796
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOCCOc1ccccc1C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H22N2O3/c1-20(12-9-15-7-10-19-11-8-15)18(21)16-5-3-4-6-17(16)23-14-13-22-2/h3-8,10-11H,9,12-14H2,1-2H3
InChIKeyLBYMCQYIKAABQF-UHFFFAOYSA-N
XLogP2.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993686
4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761596
2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82179368
2-(2-methoxyethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109251520
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113228898
1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62052597
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424
N,2,4-trimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 110852637
2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085525
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (CID 51101796) is 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is COCCOc1ccccc1C(=O)N(C)CCc1ccncc1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is LBYMCQYIKAABQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(12-9-15-7-10-19-11-8-15)18(21)16-5-3-4-6-17(16)23-14-13-22-2/h3-8,10-11H,9,12-14H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 51101796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).