2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide

C21H24N2O — CID 67990970

IUPAC2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide
SMILESN#CCCC1(C(=O)NC2CC2)CC2(C=CC3(C=CCC=C3)C=C2)C1
InChIInChI=1S/C21H24N2O/c22-14-4-9-21(18(24)23-17-5-6-17)15-20(16-21)12-10-19(11-13-20)7-2-1-3-8-19/h2-3,7-8,10-13,17H,1,4-6,9,15-16H2,(H,23,24)
InChIKeyULVFTQFJXUGOSZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.96
Rot. Bonds4

About 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide

2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide (PubChem CID 67990970) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide
PubChem CID67990970
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide
SMILESN#CCCC1(C(=O)NC2CC2)CC2(C=CC3(C=CCC=C3)C=C2)C1
InChIInChI=1S/C21H24N2O/c22-14-4-9-21(18(24)23-17-5-6-17)15-20(16-21)12-10-19(11-13-20)7-2-1-3-8-19/h2-3,7-8,10-13,17H,1,4-6,9,15-16H2,(H,23,24)
InChIKeyULVFTQFJXUGOSZ-UHFFFAOYSA-N
XLogP3.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide?
The IUPAC name of 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide (CID 67990970) is 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide.
What is the SMILES notation for 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide?
The canonical SMILES for 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide is N#CCCC1(C(=O)NC2CC2)CC2(C=CC3(C=CCC=C3)C=C2)C1.
What is the InChIKey of 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide?
The InChIKey is ULVFTQFJXUGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c22-14-4-9-21(18(24)23-17-5-6-17)15-20(16-21)12-10-19(11-13-20)7-2-1-3-8-19/h2-3,7-8,10-13,17H,1,4-6,9,15-16H2,(H,23,24).
What are the key properties of 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide?
2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoethyl)-N-cyclopropyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide is sourced from PubChem (CID 67990970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).