3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide

C21H20N2O3 — CID 17199628

IUPAC3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C21H20N2O3/c24-21(23-16-17-6-5-11-22-15-17)18-7-4-10-20(14-18)26-13-12-25-19-8-2-1-3-9-19/h1-11,14-15H,12-13,16H2,(H,23,24)
InChIKeyDIPVKLJMZVIQOH-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.47
Rot. Bonds8

About 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide

3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 17199628) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID17199628
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C21H20N2O3/c24-21(23-16-17-6-5-11-22-15-17)18-7-4-10-20(14-18)26-13-12-25-19-8-2-1-3-9-19/h1-11,14-15H,12-13,16H2,(H,23,24)
InChIKeyDIPVKLJMZVIQOH-UHFFFAOYSA-N
XLogP3.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
3-[2-(pyridin-3-ylmethylamino)ethoxy]benzoic acid
CID 103236276
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide (CID 17199628) is 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DIPVKLJMZVIQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-21(23-16-17-6-5-11-22-15-17)18-7-4-10-20(14-18)26-13-12-25-19-8-2-1-3-9-19/h1-11,14-15H,12-13,16H2,(H,23,24).
What are the key properties of 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide?
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 17199628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).