N'-(2-cyanophenyl)-N-propyloxamide

C12H13N3O2 — CID 7292742

IUPACN'-(2-cyanophenyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H13N3O2/c1-2-7-14-11(16)12(17)15-10-6-4-3-5-9(10)8-13/h3-6H,2,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyOAPJIKLVCNMBSX-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.02
Rot. Bonds3

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

N'-(2-cyanophenyl)-N-propyloxamide (PubChem CID 7292742) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-propyloxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-propyloxamide
PubChem CID7292742
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN'-(2-cyanophenyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H13N3O2/c1-2-7-14-11(16)12(17)15-10-6-4-3-5-9(10)8-13/h3-6H,2,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyOAPJIKLVCNMBSX-UHFFFAOYSA-N
XLogP1.02
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
CID 108501621
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 2496920
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
N'-(2-cyanophenyl)-N-pentylpropanediamide
CID 108951989
N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 52992789
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302664
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423
N-[(2-cyanophenyl)carbamothioyl]butanamide
CID 833253

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-propyloxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-propyloxamide (CID 7292742) is N'-(2-cyanophenyl)-N-propyloxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-propyloxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-propyloxamide is CCCNC(=O)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N'-(2-cyanophenyl)-N-propyloxamide?
The InChIKey is OAPJIKLVCNMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-7-14-11(16)12(17)15-10-6-4-3-5-9(10)8-13/h3-6H,2,7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-cyanophenyl)-N-propyloxamide?
N'-(2-cyanophenyl)-N-propyloxamide has a molecular weight of 231.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-propyloxamide is sourced from PubChem (CID 7292742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).