4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide

C18H33FN2O2 — CID 134482633

IUPAC4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)C1CC1CC(C)(C)CC(=O)NCCF
InChIInChI=1S/C18H33FN2O2/c1-17(2,3)12-16(23)21(6)14-9-13(14)10-18(4,5)11-15(22)20-8-7-19/h13-14H,7-12H2,1-6H3,(H,20,22)
InChIKeyZEYTVXYQWVSYHP-UHFFFAOYSA-N
MW328.47 g/mol
LogP3.16
Rot. Bonds8

About 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide

4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide (PubChem CID 134482633) has the molecular formula C18H33FN2O2 and a molecular weight of 328.47 g/mol. Its IUPAC name is 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide
PubChem CID134482633
Molecular FormulaC18H33FN2O2
Molecular Weight328.47 g/mol
Exact Mass328.25
IUPAC Name4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)C1CC1CC(C)(C)CC(=O)NCCF
InChIInChI=1S/C18H33FN2O2/c1-17(2,3)12-16(23)21(6)14-9-13(14)10-18(4,5)11-15(22)20-8-7-19/h13-14H,7-12H2,1-6H3,(H,20,22)
InChIKeyZEYTVXYQWVSYHP-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide?
The IUPAC name of 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide (CID 134482633) is 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide?
The canonical SMILES for 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide is CN(C(=O)CC(C)(C)C)C1CC1CC(C)(C)CC(=O)NCCF.
What is the InChIKey of 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide?
The InChIKey is ZEYTVXYQWVSYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2O2/c1-17(2,3)12-16(23)21(6)14-9-13(14)10-18(4,5)11-15(22)20-8-7-19/h13-14H,7-12H2,1-6H3,(H,20,22).
What are the key properties of 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide?
4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide has a molecular weight of 328.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,3-dimethylbutanoyl(methyl)amino]cyclopropyl]-N-(2-fluoroethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 134482633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).