N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide

C13H24F2N2O2 — CID 103209639

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)CCOCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-12(2)10(16)13(3,4)11(12)17-9(18)5-6-19-7-8(14)15/h8,10-11H,5-7,16H2,1-4H3,(H,17,18)
InChIKeyXZQQWKQLALDGLT-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.54
Rot. Bonds6

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103209639) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103209639
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)CCOCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-12(2)10(16)13(3,4)11(12)17-9(18)5-6-19-7-8(14)15/h8,10-11H,5-7,16H2,1-4H3,(H,17,18)
InChIKeyXZQQWKQLALDGLT-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide (CID 103209639) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide is CC1(C)C(N)C(C)(C)C1NC(=O)CCOCC(F)F.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is XZQQWKQLALDGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-12(2)10(16)13(3,4)11(12)17-9(18)5-6-19-7-8(14)15/h8,10-11H,5-7,16H2,1-4H3,(H,17,18).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103209639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).