N'-(2-cyanophenyl)-N-pentylpropanediamide

C15H19N3O2 — CID 108951989

IUPACN'-(2-cyanophenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H19N3O2/c1-2-3-6-9-17-14(19)10-15(20)18-13-8-5-4-7-12(13)11-16/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyZWVRUDILPVGLPV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds7

About N'-(2-cyanophenyl)-N-pentylpropanediamide

N'-(2-cyanophenyl)-N-pentylpropanediamide (PubChem CID 108951989) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-pentylpropanediamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-pentylpropanediamide
PubChem CID108951989
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN'-(2-cyanophenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H19N3O2/c1-2-3-6-9-17-14(19)10-15(20)18-13-8-5-4-7-12(13)11-16/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyZWVRUDILPVGLPV-UHFFFAOYSA-N
XLogP2.19
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943957
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 2496920
N-(2-cyanophenyl)-4-hexoxybutanamide
CID 43128141
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108951934
2-(dodecylamino)benzonitrile
CID 63488308

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-pentylpropanediamide?
The IUPAC name of N'-(2-cyanophenyl)-N-pentylpropanediamide (CID 108951989) is N'-(2-cyanophenyl)-N-pentylpropanediamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-pentylpropanediamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-pentylpropanediamide is CCCCCNC(=O)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N'-(2-cyanophenyl)-N-pentylpropanediamide?
The InChIKey is ZWVRUDILPVGLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-3-6-9-17-14(19)10-15(20)18-13-8-5-4-7-12(13)11-16/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-cyanophenyl)-N-pentylpropanediamide?
N'-(2-cyanophenyl)-N-pentylpropanediamide has a molecular weight of 273.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-pentylpropanediamide is sourced from PubChem (CID 108951989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).