N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide

C13H21N3O2 — CID 62406161

IUPACN-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide
SMILESCCC(NC(=O)C(=O)NCC#N)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-11(10-6-4-3-5-7-10)16-13(18)12(17)15-9-8-14/h10-11H,2-7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyLZBYVSFFLUWNPB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds4

About N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide

N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide (PubChem CID 62406161) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide
PubChem CID62406161
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide
SMILESCCC(NC(=O)C(=O)NCC#N)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-11(10-6-4-3-5-7-10)16-13(18)12(17)15-9-8-14/h10-11H,2-7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyLZBYVSFFLUWNPB-UHFFFAOYSA-N
XLogP1.10
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide (CID 62406161) is N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide is CCC(NC(=O)C(=O)NCC#N)C1CCCCC1.
What is the InChIKey of N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide?
The InChIKey is LZBYVSFFLUWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11(10-6-4-3-5-7-10)16-13(18)12(17)15-9-8-14/h10-11H,2-7,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide?
N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide has a molecular weight of 251.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide is sourced from PubChem (CID 62406161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).