N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide

C11H20N2O2 — CID 61058945

IUPACN-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCCCCN(CCO)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O2/c1-4-5-6-13(7-8-14)10(15)11(2,3)9-12/h14H,4-8H2,1-3H3
InChIKeyMTNDOWHZUPHKCB-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.16
Rot. Bonds6

About N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide

N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide (PubChem CID 61058945) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide
PubChem CID61058945
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCCCCN(CCO)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O2/c1-4-5-6-13(7-8-14)10(15)11(2,3)9-12/h14H,4-8H2,1-3H3
InChIKeyMTNDOWHZUPHKCB-UHFFFAOYSA-N
XLogP1.16
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide (CID 61058945) is N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide is CCCCN(CCO)C(=O)C(C)(C)C#N.
What is the InChIKey of N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is MTNDOWHZUPHKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-6-13(7-8-14)10(15)11(2,3)9-12/h14H,4-8H2,1-3H3.
What are the key properties of N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide?
N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyano-N-(2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 61058945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).