1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide

C12H20N2O2 — CID 115693613

IUPAC1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
SMILESCCOC(C)CNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C12H20N2O2/c1-4-16-10(3)7-14-11(15)12(8-13)5-9(2)6-12/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyZLEGZNVSOMZCEE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.47
Rot. Bonds5

About 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 115693613) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
PubChem CID115693613
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
SMILESCCOC(C)CNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C12H20N2O2/c1-4-16-10(3)7-14-11(15)12(8-13)5-9(2)6-12/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyZLEGZNVSOMZCEE-UHFFFAOYSA-N
XLogP1.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide (CID 115693613) is 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide is CCOC(C)CNC(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is ZLEGZNVSOMZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-16-10(3)7-14-11(15)12(8-13)5-9(2)6-12/h9-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115693613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).