2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide

C11H19N3O2 — CID 61061252

IUPAC2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide
SMILESCCNC(=O)CN(CC)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H19N3O2/c1-5-13-9(15)7-14(6-2)10(16)11(3,4)8-12/h5-7H2,1-4H3,(H,13,15)
InChIKeyKYBYLXRREKHHBJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.52
Rot. Bonds5

About 2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide

2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide (PubChem CID 61061252) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide
PubChem CID61061252
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide
SMILESCCNC(=O)CN(CC)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H19N3O2/c1-5-13-9(15)7-14(6-2)10(16)11(3,4)8-12/h5-7H2,1-4H3,(H,13,15)
InChIKeyKYBYLXRREKHHBJ-UHFFFAOYSA-N
XLogP0.52
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
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-(ethylamino)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide (CID 61061252) is 2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide is CCNC(=O)CN(CC)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is KYBYLXRREKHHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-13-9(15)7-14(6-2)10(16)11(3,4)8-12/h5-7H2,1-4H3,(H,13,15).
What are the key properties of 2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide?
2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide has a molecular weight of 225.29 g/mol, XLogP of 0.52, 5 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-(ethylamino)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 61061252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).