N-benzyl-N'-(2-ethoxyphenyl)propanediamide

C18H20N2O3 — CID 108945295

IUPACN-benzyl-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-2-23-16-11-7-6-10-15(16)20-18(22)12-17(21)19-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyXFRDWIDTQAZCRW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.73
Rot. Bonds7

About N-benzyl-N'-(2-ethoxyphenyl)propanediamide

N-benzyl-N'-(2-ethoxyphenyl)propanediamide (PubChem CID 108945295) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-benzyl-N'-(2-ethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-ethoxyphenyl)propanediamide
PubChem CID108945295
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-benzyl-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-2-23-16-11-7-6-10-15(16)20-18(22)12-17(21)19-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyXFRDWIDTQAZCRW-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
CID 108946779
N'-(2-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947846
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
CID 174193763
CID 174193763
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-ethoxyphenyl)propanediamide?
The IUPAC name of N-benzyl-N'-(2-ethoxyphenyl)propanediamide (CID 108945295) is N-benzyl-N'-(2-ethoxyphenyl)propanediamide.
What is the SMILES notation for N-benzyl-N'-(2-ethoxyphenyl)propanediamide?
The canonical SMILES for N-benzyl-N'-(2-ethoxyphenyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-(2-ethoxyphenyl)propanediamide?
The InChIKey is XFRDWIDTQAZCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-23-16-11-7-6-10-15(16)20-18(22)12-17(21)19-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-N'-(2-ethoxyphenyl)propanediamide?
N-benzyl-N'-(2-ethoxyphenyl)propanediamide has a molecular weight of 312.37 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-ethoxyphenyl)propanediamide is sourced from PubChem (CID 108945295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).