3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide

C17H21N3O2 — CID 109023245

IUPAC3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCOc1ccc(NCCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O2/c1-2-22-16-8-6-14(7-9-16)19-12-10-17(21)20-13-15-5-3-4-11-18-15/h3-9,11,19H,2,10,12-13H2,1H3,(H,20,21)
InChIKeyDCQYJKDVGRNTDF-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.60
Rot. Bonds8

About 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide

3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 109023245) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID109023245
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCOc1ccc(NCCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O2/c1-2-22-16-8-6-14(7-9-16)19-12-10-17(21)20-13-15-5-3-4-11-18-15/h3-9,11,19H,2,10,12-13H2,1H3,(H,20,21)
InChIKeyDCQYJKDVGRNTDF-UHFFFAOYSA-N
XLogP2.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023273
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108890731
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023219
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 3163372
2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258753

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 109023245) is 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide is CCOc1ccc(NCCC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is DCQYJKDVGRNTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-22-16-8-6-14(7-9-16)19-12-10-17(21)20-13-15-5-3-4-11-18-15/h3-9,11,19H,2,10,12-13H2,1H3,(H,20,21).
What are the key properties of 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 109023245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).