N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide

C15H17N3O3 — CID 52992789

IUPACN'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccccc1C#N)C1CC1
InChIInChI=1S/C15H17N3O3/c1-15(21,11-6-7-11)9-17-13(19)14(20)18-12-5-3-2-4-10(12)8-16/h2-5,11,21H,6-7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeySALMGWMQPHAOEE-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.77
Rot. Bonds4

About N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide

N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide (PubChem CID 52992789) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
PubChem CID52992789
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccccc1C#N)C1CC1
InChIInChI=1S/C15H17N3O3/c1-15(21,11-6-7-11)9-17-13(19)14(20)18-12-5-3-2-4-10(12)8-16/h2-5,11,21H,6-7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeySALMGWMQPHAOEE-UHFFFAOYSA-N
XLogP0.77
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
CID 95367441
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
CID 126852187
N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide
CID 90499435
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
CID 155930374
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
CID 108501621
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
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CID 16577691

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide (CID 52992789) is N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide is CC(O)(CNC(=O)C(=O)Nc1ccccc1C#N)C1CC1.
What is the InChIKey of N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide?
The InChIKey is SALMGWMQPHAOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(21,11-6-7-11)9-17-13(19)14(20)18-12-5-3-2-4-10(12)8-16/h2-5,11,21H,6-7,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide?
N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide has a molecular weight of 287.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide is sourced from PubChem (CID 52992789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).