N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C16H20N2O2 — CID 107467908

IUPACN-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H20N2O2/c1-15(2)13(16(15,3)4)14(19)18-12-10(9-17)7-6-8-11(12)20-5/h6-8,13H,1-5H3,(H,18,19)
InChIKeyXYUANJSLMNEBQS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.19
Rot. Bonds3

About N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 107467908) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID107467908
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H20N2O2/c1-15(2)13(16(15,3)4)14(19)18-12-10(9-17)7-6-8-11(12)20-5/h6-8,13H,1-5H3,(H,18,19)
InChIKeyXYUANJSLMNEBQS-UHFFFAOYSA-N
XLogP3.19
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988
2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide
CID 107467835
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide
CID 107467741
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
CID 107468166
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
CID 107467865
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 107467908) is N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is COc1cccc(C#N)c1NC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is XYUANJSLMNEBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(2)13(16(15,3)4)14(19)18-12-10(9-17)7-6-8-11(12)20-5/h6-8,13H,1-5H3,(H,18,19).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107467908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).