2-cyano-N-methyl-N-(oxan-4-yl)pentanamide

C12H20N2O2 — CID 55208048

IUPAC2-cyano-N-methyl-N-(oxan-4-yl)pentanamide
SMILESCCCC(C#N)C(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-3-4-10(9-13)12(15)14(2)11-5-7-16-8-6-11/h10-11H,3-8H2,1-2H3
InChIKeyFVCVJLKEPVDQDH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.56
Rot. Bonds4

About 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide

2-cyano-N-methyl-N-(oxan-4-yl)pentanamide (PubChem CID 55208048) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(oxan-4-yl)pentanamide
PubChem CID55208048
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-cyano-N-methyl-N-(oxan-4-yl)pentanamide
SMILESCCCC(C#N)C(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-3-4-10(9-13)12(15)14(2)11-5-7-16-8-6-11/h10-11H,3-8H2,1-2H3
InChIKeyFVCVJLKEPVDQDH-UHFFFAOYSA-N
XLogP1.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide?
The IUPAC name of 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide (CID 55208048) is 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide?
The canonical SMILES for 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide is CCCC(C#N)C(=O)N(C)C1CCOCC1.
What is the InChIKey of 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide?
The InChIKey is FVCVJLKEPVDQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-4-10(9-13)12(15)14(2)11-5-7-16-8-6-11/h10-11H,3-8H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide?
2-cyano-N-methyl-N-(oxan-4-yl)pentanamide has a molecular weight of 224.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(oxan-4-yl)pentanamide is sourced from PubChem (CID 55208048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).