2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O2 — CID 103742132

IUPAC2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC1CC(NC(C)C(=O)NCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O2/c1-7(10(18)16-6-12(13,14)15)17-8-5-9(19-4)11(8,2)3/h7-9,17H,5-6H2,1-4H3,(H,16,18)
InChIKeyRHCXMLDNFOTBEQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.46
Rot. Bonds5

About 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103742132) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103742132
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC1CC(NC(C)C(=O)NCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O2/c1-7(10(18)16-6-12(13,14)15)17-8-5-9(19-4)11(8,2)3/h7-9,17H,5-6H2,1-4H3,(H,16,18)
InChIKeyRHCXMLDNFOTBEQ-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 103742132) is 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is COC1CC(NC(C)C(=O)NCC(F)(F)F)C1(C)C.
What is the InChIKey of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RHCXMLDNFOTBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-7(10(18)16-6-12(13,14)15)17-8-5-9(19-4)11(8,2)3/h7-9,17H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103742132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).