2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide

C13H18FN3O3 — CID 60946637

IUPAC2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
SMILESCN(CCOc1cccc(F)c1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C13H18FN3O3/c1-17(13(19)11(15)8-12(16)18)5-6-20-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8,15H2,1H3,(H2,16,18)
InChIKeyZPRKKRMHOQIVTG-UHFFFAOYSA-N
MW283.30 g/mol
LogP-0.13
Rot. Bonds7

About 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide

2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide (PubChem CID 60946637) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
PubChem CID60946637
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
SMILESCN(CCOc1cccc(F)c1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C13H18FN3O3/c1-17(13(19)11(15)8-12(16)18)5-6-20-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8,15H2,1H3,(H2,16,18)
InChIKeyZPRKKRMHOQIVTG-UHFFFAOYSA-N
XLogP-0.13
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride
CID 119956088
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
N-[2-(3-fluorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 61063132
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741689
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
CID 60946640
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916
2-(ethylamino)-N-[2-(3-fluorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 62836449

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide?
The IUPAC name of 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide (CID 60946637) is 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide is CN(CCOc1cccc(F)c1)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide?
The InChIKey is ZPRKKRMHOQIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-17(13(19)11(15)8-12(16)18)5-6-20-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide?
2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide has a molecular weight of 283.30 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide is sourced from PubChem (CID 60946637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).