3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide

C16H23FN2O3 — CID 120500648

IUPAC3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C16H23FN2O3/c1-10(11(2)18)16(20)19-14-8-12(17)5-6-15(14)22-9-13-4-3-7-21-13/h5-6,8,10-11,13H,3-4,7,9,18H2,1-2H3,(H,19,20)
InChIKeyTZEAAHRNWYKJFF-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.31
Rot. Bonds6

About 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide

3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide (PubChem CID 120500648) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
PubChem CID120500648
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C16H23FN2O3/c1-10(11(2)18)16(20)19-14-8-12(17)5-6-15(14)22-9-13-4-3-7-21-13/h5-6,8,10-11,13H,3-4,7,9,18H2,1-2H3,(H,19,20)
InChIKeyTZEAAHRNWYKJFF-UHFFFAOYSA-N
XLogP2.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide
CID 95616239
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
(2R)-2-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]anilino]-N-(methylcarbamoyl)propanamide
CID 95323022
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
2-[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609356
1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
CID 97332544
N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 95330766
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381
1-[4-[[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 167901145

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide (CID 120500648) is 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide is CC(N)C(C)C(=O)Nc1cc(F)ccc1OCC1CCCO1.
What is the InChIKey of 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide?
The InChIKey is TZEAAHRNWYKJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-10(11(2)18)16(20)19-14-8-12(17)5-6-15(14)22-9-13-4-3-7-21-13/h5-6,8,10-11,13H,3-4,7,9,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide?
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide has a molecular weight of 310.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide is sourced from PubChem (CID 120500648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).