3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide

C13H19FN2O3 — CID 115972838

IUPAC3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1cccc(F)c1O
InChIInChI=1S/C13H19FN2O3/c1-19-8-7-16-12(17)5-6-15-9-10-3-2-4-11(14)13(10)18/h2-4,15,18H,5-9H2,1H3,(H,16,17)
InChIKeyHQPXEVURHBZCBY-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.77
Rot. Bonds8

About 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide

3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 115972838) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID115972838
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1cccc(F)c1O
InChIInChI=1S/C13H19FN2O3/c1-19-8-7-16-12(17)5-6-15-9-10-3-2-4-11(14)13(10)18/h2-4,15,18H,5-9H2,1H3,(H,16,17)
InChIKeyHQPXEVURHBZCBY-UHFFFAOYSA-N
XLogP0.77
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003
3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686507
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 112606322
2-(2,3-difluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]acetamide
CID 82994529
2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl carbamate
CID 112607237
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
3-[(5-chloro-2-nitrophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115642667
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide (CID 115972838) is 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCc1cccc(F)c1O.
What is the InChIKey of 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is HQPXEVURHBZCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-19-8-7-16-12(17)5-6-15-9-10-3-2-4-11(14)13(10)18/h2-4,15,18H,5-9H2,1H3,(H,16,17).
What are the key properties of 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 270.30 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115972838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).