N'-(2-ethylphenyl)-N-propylpropanediamide

C14H20N2O2 — CID 108940680

IUPACN'-(2-ethylphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1ccccc1CC
InChIInChI=1S/C14H20N2O2/c1-3-9-15-13(17)10-14(18)16-12-8-6-5-7-11(12)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZZCZZHWGNGCZCX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.10
Rot. Bonds6

About N'-(2-ethylphenyl)-N-propylpropanediamide

N'-(2-ethylphenyl)-N-propylpropanediamide (PubChem CID 108940680) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N-propylpropanediamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N-propylpropanediamide
PubChem CID108940680
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-(2-ethylphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1ccccc1CC
InChIInChI=1S/C14H20N2O2/c1-3-9-15-13(17)10-14(18)16-12-8-6-5-7-11(12)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZZCZZHWGNGCZCX-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.10
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-N'-(2-ethylphenyl)propanediamide
CID 108945270
N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
CID 8675613
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide
CID 108952537
1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970292
N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride
CID 119440586
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(4-acetylphenyl)-N'-(2-ethylphenyl)propanediamide
CID 108953959
4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide
CID 17180735
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N-propylpropanediamide?
The IUPAC name of N'-(2-ethylphenyl)-N-propylpropanediamide (CID 108940680) is N'-(2-ethylphenyl)-N-propylpropanediamide.
What is the SMILES notation for N'-(2-ethylphenyl)-N-propylpropanediamide?
The canonical SMILES for N'-(2-ethylphenyl)-N-propylpropanediamide is CCCNC(=O)CC(=O)Nc1ccccc1CC.
What is the InChIKey of N'-(2-ethylphenyl)-N-propylpropanediamide?
The InChIKey is ZZCZZHWGNGCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-9-15-13(17)10-14(18)16-12-8-6-5-7-11(12)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2-ethylphenyl)-N-propylpropanediamide?
N'-(2-ethylphenyl)-N-propylpropanediamide has a molecular weight of 248.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N-propylpropanediamide is sourced from PubChem (CID 108940680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).