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

C12H22F2N2O2 — CID 70857107

IUPAC3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide
SMILESCC(C)(C)NC(CC(F)F)C(O)C(=O)NC1CC1
InChIInChI=1S/C12H22F2N2O2/c1-12(2,3)16-8(6-9(13)14)10(17)11(18)15-7-4-5-7/h7-10,16-17H,4-6H2,1-3H3,(H,15,18)
InChIKeyHQDFXOBBOGQJAT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.04
Rot. Bonds6

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

3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide (PubChem CID 70857107) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide
PubChem CID70857107
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide
SMILESCC(C)(C)NC(CC(F)F)C(O)C(=O)NC1CC1
InChIInChI=1S/C12H22F2N2O2/c1-12(2,3)16-8(6-9(13)14)10(17)11(18)15-7-4-5-7/h7-10,16-17H,4-6H2,1-3H3,(H,15,18)
InChIKeyHQDFXOBBOGQJAT-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide?
The IUPAC name of 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide (CID 70857107) is 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide?
The canonical SMILES for 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide 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-hydroxypentanamide?
The InChIKey is HQDFXOBBOGQJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-12(2,3)16-8(6-9(13)14)10(17)11(18)15-7-4-5-7/h7-10,16-17H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide?
3-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide has a molecular weight of 264.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 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-hydroxypentanamide is sourced from PubChem (CID 70857107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).