N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide

C16H25FN2O2 — CID 119642968

IUPACN-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
SMILESCCC(N)(CC)CNC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C16H25FN2O2/c1-3-16(18,4-2)12-19-15(20)9-6-10-21-14-8-5-7-13(17)11-14/h5,7-8,11H,3-4,6,9-10,12,18H2,1-2H3,(H,19,20)
InChIKeyVIUFJWNZRMXKPM-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.62
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide

N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide (PubChem CID 119642968) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
PubChem CID119642968
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
SMILESCCC(N)(CC)CNC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C16H25FN2O2/c1-3-16(18,4-2)12-19-15(20)9-6-10-21-14-8-5-7-13(17)11-14/h5,7-8,11H,3-4,6,9-10,12,18H2,1-2H3,(H,19,20)
InChIKeyVIUFJWNZRMXKPM-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
benzyl 2-[4-(3-fluorophenoxy)butanoylamino]acetate
CID 52715067
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
CID 103839738
4-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)butanamide
CID 78786017
N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 120506795
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
CID 119643172
3-[4-(3-fluorophenoxy)butanoylamino]-2-phenylpropanoic acid
CID 119254459
2-[4-(3-fluorophenoxy)butanoylamino]-3-methylpentanoic acid
CID 119211432

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide (CID 119642968) is N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide is CCC(N)(CC)CNC(=O)CCCOc1cccc(F)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide?
The InChIKey is VIUFJWNZRMXKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-3-16(18,4-2)12-19-15(20)9-6-10-21-14-8-5-7-13(17)11-14/h5,7-8,11H,3-4,6,9-10,12,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide?
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide has a molecular weight of 296.39 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide is sourced from PubChem (CID 119642968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).