N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide

C17H19N3O3 — CID 108947531

IUPACN'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)NCc1ccccn1
InChIInChI=1S/C17H19N3O3/c1-2-23-15-9-4-3-8-14(15)20-17(22)11-16(21)19-12-13-7-5-6-10-18-13/h3-10H,2,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyFULAHBISJSVPCE-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.13
Rot. Bonds7

About N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide

N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108947531) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
PubChem CID108947531
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)NCc1ccccn1
InChIInChI=1S/C17H19N3O3/c1-2-23-15-9-4-3-8-14(15)20-17(22)11-16(21)19-12-13-7-5-6-10-18-13/h3-10H,2,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyFULAHBISJSVPCE-UHFFFAOYSA-N
XLogP2.13
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023401
N'-(2-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947846
N-benzyl-N'-(2-ethoxyphenyl)propanediamide
CID 108945295
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
CID 108946779
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947580
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212895

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide (CID 108947531) is N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)NCc1ccccn1.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is FULAHBISJSVPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-23-15-9-4-3-8-14(15)20-17(22)11-16(21)19-12-13-7-5-6-10-18-13/h3-10H,2,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide?
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 313.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108947531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).