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

C13H23F3N2O2 — CID 103209640

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-11(2)9(17)12(3,4)10(11)18-8(19)5-6-20-7-13(14,15)16/h9-10H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyIVNTXMBCIHJHIC-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.83
Rot. Bonds5

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

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103209640) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103209640
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-11(2)9(17)12(3,4)10(11)18-8(19)5-6-20-7-13(14,15)16/h9-10H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyIVNTXMBCIHJHIC-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.83
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-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103209640) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC1(C)C(N)C(C)(C)C1NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IVNTXMBCIHJHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-11(2)9(17)12(3,4)10(11)18-8(19)5-6-20-7-13(14,15)16/h9-10H,5-7,17H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 296.33 g/mol, XLogP of 1.83, 5 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-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103209640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).