2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide

C19H34N2O — CID 47018828

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC2CC(C)(C)NC(C)(C)C2)C1(C)C
InChIInChI=1S/C19H34N2O/c1-12(2)9-14-15(19(14,7)8)16(22)20-13-10-17(3,4)21-18(5,6)11-13/h9,13-15,21H,10-11H2,1-8H3,(H,20,22)
InChIKeyXOJFICJMISYQQV-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.65
Rot. Bonds3

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 47018828) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID47018828
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC2CC(C)(C)NC(C)(C)C2)C1(C)C
InChIInChI=1S/C19H34N2O/c1-12(2)9-14-15(19(14,7)8)16(22)20-13-10-17(3,4)21-18(5,6)11-13/h9,13-15,21H,10-11H2,1-8H3,(H,20,22)
InChIKeyXOJFICJMISYQQV-UHFFFAOYSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
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-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 47018828) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NC2CC(C)(C)NC(C)(C)C2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is XOJFICJMISYQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-12(2)9-14-15(19(14,7)8)16(22)20-13-10-17(3,4)21-18(5,6)11-13/h9,13-15,21H,10-11H2,1-8H3,(H,20,22).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 306.49 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47018828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).