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

C18H20N2O2 — CID 108945270

IUPACN-benzyl-N'-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-15-10-6-7-11-16(15)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)
InChIKeyYVPSRHQBXKRLHH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.89
Rot. Bonds6

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

N-benzyl-N'-(2-ethylphenyl)propanediamide (PubChem CID 108945270) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-benzyl-N'-(2-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-ethylphenyl)propanediamide
PubChem CID108945270
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-benzyl-N'-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-15-10-6-7-11-16(15)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)
InChIKeyYVPSRHQBXKRLHH-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
N-benzyl-N'-(2-ethoxyphenyl)propanediamide
CID 108945295
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide
CID 108947205
N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-ethylphenyl)propanediamide?
The IUPAC name of N-benzyl-N'-(2-ethylphenyl)propanediamide (CID 108945270) is N-benzyl-N'-(2-ethylphenyl)propanediamide.
What is the SMILES notation for N-benzyl-N'-(2-ethylphenyl)propanediamide?
The canonical SMILES for N-benzyl-N'-(2-ethylphenyl)propanediamide is CCc1ccccc1NC(=O)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-(2-ethylphenyl)propanediamide?
The InChIKey is YVPSRHQBXKRLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-15-10-6-7-11-16(15)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-ethylphenyl)propanediamide?
N-benzyl-N'-(2-ethylphenyl)propanediamide has a molecular weight of 296.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-ethylphenyl)propanediamide is sourced from PubChem (CID 108945270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).