4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide

C13H19FN2O3 — CID 54937821

IUPAC4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
SMILESNC(=O)CCCNCC(O)COc1ccccc1F
InChIInChI=1S/C13H19FN2O3/c14-11-4-1-2-5-12(11)19-9-10(17)8-16-7-3-6-13(15)18/h1-2,4-5,10,16-17H,3,6-9H2,(H2,15,18)
InChIKeyOISZSWRTJLIAPC-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.42
Rot. Bonds9

About 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide

4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide (PubChem CID 54937821) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide.

Molecular Properties

Compound Name4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
PubChem CID54937821
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
SMILESNC(=O)CCCNCC(O)COc1ccccc1F
InChIInChI=1S/C13H19FN2O3/c14-11-4-1-2-5-12(11)19-9-10(17)8-16-7-3-6-13(15)18/h1-2,4-5,10,16-17H,3,6-9H2,(H2,15,18)
InChIKeyOISZSWRTJLIAPC-UHFFFAOYSA-N
XLogP0.42
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851621
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
4-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 60908871
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938677
1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 115579730
2-[4-[2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]ethoxy]phenoxy]acetic acid;hydrochloride
CID 54585701
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide?
The IUPAC name of 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide (CID 54937821) is 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide.
What is the SMILES notation for 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide?
The canonical SMILES for 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide is NC(=O)CCCNCC(O)COc1ccccc1F.
What is the InChIKey of 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide?
The InChIKey is OISZSWRTJLIAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c14-11-4-1-2-5-12(11)19-9-10(17)8-16-7-3-6-13(15)18/h1-2,4-5,10,16-17H,3,6-9H2,(H2,15,18).
What are the key properties of 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide?
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide has a molecular weight of 270.30 g/mol, XLogP of 0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide is sourced from PubChem (CID 54937821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).