N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide

C18H21FN2O2 — CID 119528074

IUPACN-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
SMILESNC(CNC(=O)CCCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H21FN2O2/c19-15-8-10-16(11-9-15)23-12-4-7-18(22)21-13-17(20)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13,20H2,(H,21,22)
InChIKeyTXJIYJXTHLHOCW-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.80
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide

N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide (PubChem CID 119528074) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
PubChem CID119528074
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
SMILESNC(CNC(=O)CCCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H21FN2O2/c19-15-8-10-16(11-9-15)23-12-4-7-18(22)21-13-17(20)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13,20H2,(H,21,22)
InChIKeyTXJIYJXTHLHOCW-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.80
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

4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide
CID 66177314
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119529476
4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide
CID 9302251
3-[4-(3-fluorophenoxy)butanoylamino]-2-phenylpropanoic acid
CID 119254459

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide (CID 119528074) is N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide is NC(CNC(=O)CCCOc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide?
The InChIKey is TXJIYJXTHLHOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-8-10-16(11-9-15)23-12-4-7-18(22)21-13-17(20)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13,20H2,(H,21,22).
What are the key properties of N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide?
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide has a molecular weight of 316.38 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 119528074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).