N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide

C16H21N3O2 — CID 108519413

IUPACN'-butyl-N-(4-cyanophenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-3-5-11-19(10-4-2)16(21)15(20)18-14-8-6-13(12-17)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyAQAHKCXHBFHNRX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds6

About N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide

N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide (PubChem CID 108519413) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(4-cyanophenyl)-N'-propyloxamide
PubChem CID108519413
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN'-butyl-N-(4-cyanophenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-3-5-11-19(10-4-2)16(21)15(20)18-14-8-6-13(12-17)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyAQAHKCXHBFHNRX-UHFFFAOYSA-N
XLogP2.54
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Lidocaine
CID 3676
Prilocaine
CID 4906
Prilocaine Hydrochloride
CID 92163
2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium
CID 3925
Trimecaine
CID 12028
Mesocaine
CID 2843496
N,N'-DI(O-Tolyl)oxamide
CID 223396
4-Acetamidophenylacetonitrile
CID 289748
N-(4-cyanophenyl)acetamide
CID 37256
N-(4-(2,2-Dicyanoethenyl)phenyl)acetamide
CID 33296
QX-314 bromide
CID 9884487
Gsk232420A
CID 11472813

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide?
The IUPAC name of N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide (CID 108519413) is N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide.
What is the SMILES notation for N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide?
The canonical SMILES for N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide is CCCCN(CCC)C(=O)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide?
The InChIKey is AQAHKCXHBFHNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-5-11-19(10-4-2)16(21)15(20)18-14-8-6-13(12-17)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H,18,20).
What are the key properties of N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide?
N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide has a molecular weight of 287.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide is sourced from PubChem (CID 108519413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).