N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide

C12H23FN2O2 — CID 91448392

IUPACN-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide
SMILESCCNC1(C(O)C(=O)NC(C)(C)C)CC(F)C1
InChIInChI=1S/C12H23FN2O2/c1-5-14-12(6-8(13)7-12)9(16)10(17)15-11(2,3)4/h8-9,14,16H,5-7H2,1-4H3,(H,15,17)
InChIKeyZWBMJRKZJYSONN-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.74
Rot. Bonds4

About N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide

N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide (PubChem CID 91448392) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide
PubChem CID91448392
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC NameN-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide
SMILESCCNC1(C(O)C(=O)NC(C)(C)C)CC(F)C1
InChIInChI=1S/C12H23FN2O2/c1-5-14-12(6-8(13)7-12)9(16)10(17)15-11(2,3)4/h8-9,14,16H,5-7H2,1-4H3,(H,15,17)
InChIKeyZWBMJRKZJYSONN-UHFFFAOYSA-N
XLogP0.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide?
The IUPAC name of N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide (CID 91448392) is N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide?
The canonical SMILES for N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide is CCNC1(C(O)C(=O)NC(C)(C)C)CC(F)C1.
What is the InChIKey of N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide?
The InChIKey is ZWBMJRKZJYSONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-5-14-12(6-8(13)7-12)9(16)10(17)15-11(2,3)4/h8-9,14,16H,5-7H2,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide?
N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide has a molecular weight of 246.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide is sourced from PubChem (CID 91448392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).