2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

C9H16N2O2 — CID 79377312

IUPAC2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CC#N
InChIInChI=1S/C9H16N2O2/c1-4-11(7-9(2,3)13)8(12)5-6-10/h13H,4-5,7H2,1-3H3
InChIKeyFKALQKIPIDRTIU-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.52
Rot. Bonds4

About 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 79377312) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID79377312
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CC#N
InChIInChI=1S/C9H16N2O2/c1-4-11(7-9(2,3)13)8(12)5-6-10/h13H,4-5,7H2,1-3H3
InChIKeyFKALQKIPIDRTIU-UHFFFAOYSA-N
XLogP0.52
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 79377312) is 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is CCN(CC(C)(C)O)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is FKALQKIPIDRTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-11(7-9(2,3)13)8(12)5-6-10/h13H,4-5,7H2,1-3H3.
What are the key properties of 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 184.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 79377312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).