3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide

C13H22F2N2O2 — CID 58938761

IUPAC3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide
SMILESCC(C)(C)NC(CCC(F)F)C(=O)C(=O)NC1CC1
InChIInChI=1S/C13H22F2N2O2/c1-13(2,3)17-9(6-7-10(14)15)11(18)12(19)16-8-4-5-8/h8-10,17H,4-7H2,1-3H3,(H,16,19)
InChIKeyXCVSEBRYHWOSPS-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.64
Rot. Bonds7

About 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide

3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide (PubChem CID 58938761) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide
PubChem CID58938761
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide
SMILESCC(C)(C)NC(CCC(F)F)C(=O)C(=O)NC1CC1
InChIInChI=1S/C13H22F2N2O2/c1-13(2,3)17-9(6-7-10(14)15)11(18)12(19)16-8-4-5-8/h8-10,17H,4-7H2,1-3H3,(H,16,19)
InChIKeyXCVSEBRYHWOSPS-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide
CID 58331629
3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
CID 58331968
(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 58363563
3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 58363651
3-(tert-butylamino)-N-cyclopropyl-6,6,6-trifluoro-2-oxohexanamide
CID 59547309
3-amino-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
CID 66694124
N-cyclopropyl-3-(ethylamino)-5,5-difluoro-2-oxopentanamide
CID 68285008
N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide
CID 70286319
3-amino-N-cyclopropyl-2,2-difluorohexanamide
CID 70313284
3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide
CID 71068354
3-amino-N-[(2S)-butan-2-yl]-5,5-difluoro-2-oxopentanamide
CID 87111851
3-amino-N-(2-fluoroethyl)-2-oxohexanamide
CID 88254119

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide?
The IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide (CID 58938761) is 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide?
The canonical SMILES for 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide is CC(C)(C)NC(CCC(F)F)C(=O)C(=O)NC1CC1.
What is the InChIKey of 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide?
The InChIKey is XCVSEBRYHWOSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-13(2,3)17-9(6-7-10(14)15)11(18)12(19)16-8-4-5-8/h8-10,17H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide?
3-(tert-butylamino)-N-cyclopropyl-6,6-difluoro-2-oxohexanamide has a molecular weight of 276.33 g/mol, XLogP of 1.64, 7 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-6,6-difluoro-2-oxohexanamide is sourced from PubChem (CID 58938761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).