2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide

C17H26F3NO — CID 51112591

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC2CCCCC2C(F)(F)F)C1(C)C
InChIInChI=1S/C17H26F3NO/c1-10(2)9-12-14(16(12,3)4)15(22)21-13-8-6-5-7-11(13)17(18,19)20/h9,11-14H,5-8H2,1-4H3,(H,21,22)
InChIKeyOVIPLKUVHGORGE-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.46
Rot. Bonds3

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide (PubChem CID 51112591) has the molecular formula C17H26F3NO and a molecular weight of 317.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide
PubChem CID51112591
Molecular FormulaC17H26F3NO
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC2CCCCC2C(F)(F)F)C1(C)C
InChIInChI=1S/C17H26F3NO/c1-10(2)9-12-14(16(12,3)4)15(22)21-13-8-6-5-7-11(13)17(18,19)20/h9,11-14H,5-8H2,1-4H3,(H,21,22)
InChIKeyOVIPLKUVHGORGE-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide (CID 51112591) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NC2CCCCC2C(F)(F)F)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is OVIPLKUVHGORGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3NO/c1-10(2)9-12-14(16(12,3)4)15(22)21-13-8-6-5-7-11(13)17(18,19)20/h9,11-14H,5-8H2,1-4H3,(H,21,22).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(trifluoromethyl)cyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51112591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).