N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide

C13H23NO2 — CID 168727027

IUPACN-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)C(C)(C)C
InChIInChI=1S/C13H23NO2/c1-12(2,3)10(15)8-7-9(8)11(16)14-13(4,5)6/h8-9H,7H2,1-6H3,(H,14,16)
InChIKeyKQTXEBUBGGMQNX-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.15
Rot. Bonds2

About N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide

N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide (PubChem CID 168727027) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide
PubChem CID168727027
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)C(C)(C)C
InChIInChI=1S/C13H23NO2/c1-12(2,3)10(15)8-7-9(8)11(16)14-13(4,5)6/h8-9H,7H2,1-6H3,(H,14,16)
InChIKeyKQTXEBUBGGMQNX-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide (CID 168727027) is N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide is CC(C)(C)NC(=O)C1CC1C(=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide?
The InChIKey is KQTXEBUBGGMQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)10(15)8-7-9(8)11(16)14-13(4,5)6/h8-9H,7H2,1-6H3,(H,14,16).
What are the key properties of N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide?
N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 168727027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).