2-cyano-N-morpholin-4-yl-2-propylpentanamide

C13H23N3O2 — CID 83016602

IUPAC2-cyano-N-morpholin-4-yl-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NN1CCOCC1
InChIInChI=1S/C13H23N3O2/c1-3-5-13(11-14,6-4-2)12(17)15-16-7-9-18-10-8-16/h3-10H2,1-2H3,(H,15,17)
InChIKeyTUGOSQBNTRTIIY-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.46
Rot. Bonds6

About 2-cyano-N-morpholin-4-yl-2-propylpentanamide

2-cyano-N-morpholin-4-yl-2-propylpentanamide (PubChem CID 83016602) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-cyano-N-morpholin-4-yl-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-morpholin-4-yl-2-propylpentanamide
PubChem CID83016602
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-cyano-N-morpholin-4-yl-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NN1CCOCC1
InChIInChI=1S/C13H23N3O2/c1-3-5-13(11-14,6-4-2)12(17)15-16-7-9-18-10-8-16/h3-10H2,1-2H3,(H,15,17)
InChIKeyTUGOSQBNTRTIIY-UHFFFAOYSA-N
XLogP1.46
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-morpholin-4-yl-2-propylpentanamide?
The IUPAC name of 2-cyano-N-morpholin-4-yl-2-propylpentanamide (CID 83016602) is 2-cyano-N-morpholin-4-yl-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-morpholin-4-yl-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-morpholin-4-yl-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NN1CCOCC1.
What is the InChIKey of 2-cyano-N-morpholin-4-yl-2-propylpentanamide?
The InChIKey is TUGOSQBNTRTIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-13(11-14,6-4-2)12(17)15-16-7-9-18-10-8-16/h3-10H2,1-2H3,(H,15,17).
What are the key properties of 2-cyano-N-morpholin-4-yl-2-propylpentanamide?
2-cyano-N-morpholin-4-yl-2-propylpentanamide has a molecular weight of 253.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-morpholin-4-yl-2-propylpentanamide is sourced from PubChem (CID 83016602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).