3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide

C12H20F2N2O2 — CID 58331968

IUPAC3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
SMILESCC(C)(C)NC(CC(F)F)C(=O)C(=O)NC1CC1
InChIInChI=1S/C12H20F2N2O2/c1-12(2,3)16-8(6-9(13)14)10(17)11(18)15-7-4-5-7/h7-9,16H,4-6H2,1-3H3,(H,15,18)
InChIKeyMIZPELTVCAOZBG-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.25
Rot. Bonds6

About 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide

3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide (PubChem CID 58331968) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
PubChem CID58331968
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
SMILESCC(C)(C)NC(CC(F)F)C(=O)C(=O)NC1CC1
InChIInChI=1S/C12H20F2N2O2/c1-12(2,3)16-8(6-9(13)14)10(17)11(18)15-7-4-5-7/h7-9,16H,4-6H2,1-3H3,(H,15,18)
InChIKeyMIZPELTVCAOZBG-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide?
The IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide (CID 58331968) is 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide?
The canonical SMILES for 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide is CC(C)(C)NC(CC(F)F)C(=O)C(=O)NC1CC1.
What is the InChIKey of 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide?
The InChIKey is MIZPELTVCAOZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-12(2,3)16-8(6-9(13)14)10(17)11(18)15-7-4-5-7/h7-9,16H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide?
3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide has a molecular weight of 262.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide is sourced from PubChem (CID 58331968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).