2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide

C12H21N3O2 — CID 78946325

IUPAC2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCOC(C#N)C1
InChIInChI=1S/C12H21N3O2/c1-9(2)7-14-12(16)10(3)15-4-5-17-11(6-13)8-15/h9-11H,4-5,7-8H2,1-3H3,(H,14,16)
InChIKeyOWTHRVXVEQVYRZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.37
Rot. Bonds4

About 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide

2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide (PubChem CID 78946325) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide
PubChem CID78946325
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCOC(C#N)C1
InChIInChI=1S/C12H21N3O2/c1-9(2)7-14-12(16)10(3)15-4-5-17-11(6-13)8-15/h9-11H,4-5,7-8H2,1-3H3,(H,14,16)
InChIKeyOWTHRVXVEQVYRZ-UHFFFAOYSA-N
XLogP0.37
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide (CID 78946325) is 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N1CCOC(C#N)C1.
What is the InChIKey of 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is OWTHRVXVEQVYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)7-14-12(16)10(3)15-4-5-17-11(6-13)8-15/h9-11H,4-5,7-8H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide?
2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 78946325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).