1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide

C13H21N3O2 — CID 80501564

IUPAC1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C13H21N3O2/c1-5-16(8-11(17)15(3)4)12(18)13(9-14)6-10(2)7-13/h10H,5-8H2,1-4H3
InChIKeyZDJSQIHFKNNSSG-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.86
Rot. Bonds4

About 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide

1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide (PubChem CID 80501564) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide
PubChem CID80501564
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C13H21N3O2/c1-5-16(8-11(17)15(3)4)12(18)13(9-14)6-10(2)7-13/h10H,5-8H2,1-4H3
InChIKeyZDJSQIHFKNNSSG-UHFFFAOYSA-N
XLogP0.86
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide (CID 80501564) is 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide is CCN(CC(=O)N(C)C)C(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide?
The InChIKey is ZDJSQIHFKNNSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-16(8-11(17)15(3)4)12(18)13(9-14)6-10(2)7-13/h10H,5-8H2,1-4H3.
What are the key properties of 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide?
1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80501564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).