N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide

C11H19F3N2O3 — CID 106297204

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCC1(NC(=O)CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H19F3N2O3/c12-11(13,14)8-19-4-1-9(17)16-10(7-15)2-5-18-6-3-10/h1-8,15H2,(H,16,17)
InChIKeyBDHSYRBPJYIJKX-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.58
Rot. Bonds6

About N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 106297204) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID106297204
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCC1(NC(=O)CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H19F3N2O3/c12-11(13,14)8-19-4-1-9(17)16-10(7-15)2-5-18-6-3-10/h1-8,15H2,(H,16,17)
InChIKeyBDHSYRBPJYIJKX-UHFFFAOYSA-N
XLogP0.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
CID 146476352
4-(2,2,2-Trifluoroethylamino)oxane-4-carboxamide
CID 60997365
2-amino-3,3,3-trifluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 79812234
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide
CID 103209456
N-[1-(aminomethyl)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212916
N-(1-amino-2-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212926
N-(1-amino-2-methylbutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212928
N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103213007
N-[1-(aminomethyl)cyclobutyl]-3-(2,2-difluoroethoxy)propanamide
CID 103213009
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806894
N-(2-amino-2-ethylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103807562
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxan-4-yl)ethyl]propanamide
CID 105809084

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 106297204) is N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide is NCC1(NC(=O)CCOCC(F)(F)F)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BDHSYRBPJYIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c12-11(13,14)8-19-4-1-9(17)16-10(7-15)2-5-18-6-3-10/h1-8,15H2,(H,16,17).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 284.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 106297204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).