N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide

C13H23NO2 — CID 59248079

IUPACN-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide
SMILESCCC1CC1(NC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C13H23NO2/c1-6-10-7-13(10,11(15)8(2)3)14-12(16)9(4)5/h8-10H,6-7H2,1-5H3,(H,14,16)
InChIKeyXIACYUBNXJAZIW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.15
Rot. Bonds5

About N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide

N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide (PubChem CID 59248079) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide
PubChem CID59248079
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide
SMILESCCC1CC1(NC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C13H23NO2/c1-6-10-7-13(10,11(15)8(2)3)14-12(16)9(4)5/h8-10H,6-7H2,1-5H3,(H,14,16)
InChIKeyXIACYUBNXJAZIW-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide?
The IUPAC name of N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide (CID 59248079) is N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide?
The canonical SMILES for N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide is CCC1CC1(NC(=O)C(C)C)C(=O)C(C)C.
What is the InChIKey of N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide?
The InChIKey is XIACYUBNXJAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-10-7-13(10,11(15)8(2)3)14-12(16)9(4)5/h8-10H,6-7H2,1-5H3,(H,14,16).
What are the key properties of N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide?
N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide has a molecular weight of 225.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-1-(2-methylpropanoyl)cyclopropyl]-2-methylpropanamide is sourced from PubChem (CID 59248079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).