3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide

C23H24N2O4 — CID 35511449

IUPAC3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2ccccn2)ccc1OCCOc1ccccc1
InChIInChI=1S/C23H24N2O4/c1-2-27-22-16-18(23(26)25-17-19-8-6-7-13-24-19)11-12-21(22)29-15-14-28-20-9-4-3-5-10-20/h3-13,16H,2,14-15,17H2,1H3,(H,25,26)
InChIKeyLPDKZAQECYOMPF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.87
Rot. Bonds10

About 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide

3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 35511449) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID35511449
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2ccccn2)ccc1OCCOc1ccccc1
InChIInChI=1S/C23H24N2O4/c1-2-27-22-16-18(23(26)25-17-19-8-6-7-13-24-19)11-12-21(22)29-15-14-28-20-9-4-3-5-10-20/h3-13,16H,2,14-15,17H2,1H3,(H,25,26)
InChIKeyLPDKZAQECYOMPF-UHFFFAOYSA-N
XLogP3.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
N,3-diethoxy-4-(2-phenoxyethoxy)benzamide
CID 30689941
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 91231286
3-ethoxy-4-(2-phenoxyethoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795864
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide
CID 71909889
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
3,4-diethoxy-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049211
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119182002

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide (CID 35511449) is 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide is CCOc1cc(C(=O)NCc2ccccn2)ccc1OCCOc1ccccc1.
What is the InChIKey of 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is LPDKZAQECYOMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-2-27-22-16-18(23(26)25-17-19-8-6-7-13-24-19)11-12-21(22)29-15-14-28-20-9-4-3-5-10-20/h3-13,16H,2,14-15,17H2,1H3,(H,25,26).
What are the key properties of 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide?
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 35511449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).