N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide

C20H25N3O3 — CID 50963279

IUPACN-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N(C)C(CC)c1cccnc1
InChIInChI=1S/C20H25N3O3/c1-4-17(15-9-8-12-21-14-15)23(3)20(25)13-19(24)22-16-10-6-7-11-18(16)26-5-2/h6-12,14,17H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyGXDUECFRGGPGCT-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.42
Rot. Bonds8

About N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide

N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide (PubChem CID 50963279) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide
PubChem CID50963279
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N(C)C(CC)c1cccnc1
InChIInChI=1S/C20H25N3O3/c1-4-17(15-9-8-12-21-14-15)23(3)20(25)13-19(24)22-16-10-6-7-11-18(16)26-5-2/h6-12,14,17H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyGXDUECFRGGPGCT-UHFFFAOYSA-N
XLogP3.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
2-[acetyl(1-phenylethyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113162068
N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide
CID 50956495
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N'-(2-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947846
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide
CID 50964947
N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110422172
2-[[4-benzyl-5-[(1R)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2085522
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898297

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide (CID 50963279) is N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)N(C)C(CC)c1cccnc1.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide?
The InChIKey is GXDUECFRGGPGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-17(15-9-8-12-21-14-15)23(3)20(25)13-19(24)22-16-10-6-7-11-18(16)26-5-2/h6-12,14,17H,4-5,13H2,1-3H3,(H,22,24).
What are the key properties of N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide?
N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide has a molecular weight of 355.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide is sourced from PubChem (CID 50963279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).