2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide

C18H25NO2 — CID 5296031

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCOc2ccccc2)C1(C)C
InChIInChI=1S/C18H25NO2/c1-13(2)12-15-16(18(15,3)4)17(20)19-10-11-21-14-8-6-5-7-9-14/h5-9,12,15-16H,10-11H2,1-4H3,(H,19,20)
InChIKeyWXXUMYXATSQYMX-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.42
Rot. Bonds6

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide (PubChem CID 5296031) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
PubChem CID5296031
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCOc2ccccc2)C1(C)C
InChIInChI=1S/C18H25NO2/c1-13(2)12-15-16(18(15,3)4)17(20)19-10-11-21-14-8-6-5-7-9-14/h5-9,12,15-16H,10-11H2,1-4H3,(H,19,20)
InChIKeyWXXUMYXATSQYMX-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-phenoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide (CID 5296031) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCCOc2ccccc2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is WXXUMYXATSQYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(2)12-15-16(18(15,3)4)17(20)19-10-11-21-14-8-6-5-7-9-14/h5-9,12,15-16H,10-11H2,1-4H3,(H,19,20).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 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-phenoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 5296031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).