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

C11H20F2N2O3 — CID 114170037

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide
SMILESNCC1(NC(=O)CCOCC(F)F)CCOCC1
InChIInChI=1S/C11H20F2N2O3/c12-9(13)7-18-4-1-10(16)15-11(8-14)2-5-17-6-3-11/h9H,1-8,14H2,(H,15,16)
InChIKeyFTIRIIDKSLEVCP-UHFFFAOYSA-N
MW266.29 g/mol
LogP0.28
Rot. Bonds7

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

N-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 114170037) has the molecular formula C11H20F2N2O3 and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID114170037
Molecular FormulaC11H20F2N2O3
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide
SMILESNCC1(NC(=O)CCOCC(F)F)CCOCC1
InChIInChI=1S/C11H20F2N2O3/c12-9(13)7-18-4-1-10(16)15-11(8-14)2-5-17-6-3-11/h9H,1-8,14H2,(H,15,16)
InChIKeyFTIRIIDKSLEVCP-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-difluoroethoxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide (CID 114170037) is N-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide is NCC1(NC(=O)CCOCC(F)F)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is FTIRIIDKSLEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O3/c12-9(13)7-18-4-1-10(16)15-11(8-14)2-5-17-6-3-11/h9H,1-8,14H2,(H,15,16).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide?
N-[4-(aminomethyl)oxan-4-yl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 266.29 g/mol, XLogP of 0.28, 7 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-difluoroethoxy)propanamide is sourced from PubChem (CID 114170037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).