4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide

C14H19FN2O2 — CID 115295213

IUPAC4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1(N)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-10(11-2-4-12(15)5-3-11)17-13(18)14(16)6-8-19-9-7-14/h2-5,10H,6-9,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyJUXOZIQUDSGDJT-JTQLQIEISA-N
MW266.32 g/mol
LogP1.51
Rot. Bonds3

About 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide

4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide (PubChem CID 115295213) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
PubChem CID115295213
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1(N)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-10(11-2-4-12(15)5-3-11)17-13(18)14(16)6-8-19-9-7-14/h2-5,10H,6-9,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyJUXOZIQUDSGDJT-JTQLQIEISA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892108
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
CID 64891106
methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 163364958
4-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115294053
1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 81359922
N-[4-[1-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119300704

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide (CID 115295213) is 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide is C[C@H](NC(=O)C1(N)CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide?
The InChIKey is JUXOZIQUDSGDJT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(11-2-4-12(15)5-3-11)17-13(18)14(16)6-8-19-9-7-14/h2-5,10H,6-9,16H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide?
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 115295213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).