N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide

C16H25FN2O2 — CID 107686802

IUPACN-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide
SMILESCCNCc1ccc(OC(C)C(=O)NC(C)CC)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-5-11(3)19-16(20)12(4)21-15-8-7-13(9-14(15)17)10-18-6-2/h7-9,11-12,18H,5-6,10H2,1-4H3,(H,19,20)
InChIKeyDMKQIDYJGLYWTJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.62
Rot. Bonds8

About N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide

N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide (PubChem CID 107686802) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide
PubChem CID107686802
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide
SMILESCCNCc1ccc(OC(C)C(=O)NC(C)CC)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-5-11(3)19-16(20)12(4)21-15-8-7-13(9-14(15)17)10-18-6-2/h7-9,11-12,18H,5-6,10H2,1-4H3,(H,19,20)
InChIKeyDMKQIDYJGLYWTJ-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
CID 103850004
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
CID 98784176
2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 103792142
2-(2-bromo-4-formylphenoxy)-N-butan-2-ylpropanamide
CID 60718458
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
CID 63368153
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide?
The IUPAC name of N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide (CID 107686802) is N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide?
The canonical SMILES for N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide is CCNCc1ccc(OC(C)C(=O)NC(C)CC)c(F)c1.
What is the InChIKey of N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide?
The InChIKey is DMKQIDYJGLYWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-5-11(3)19-16(20)12(4)21-15-8-7-13(9-14(15)17)10-18-6-2/h7-9,11-12,18H,5-6,10H2,1-4H3,(H,19,20).
What are the key properties of N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide?
N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide has a molecular weight of 296.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide is sourced from PubChem (CID 107686802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).