5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide

C16H25FN2O — CID 82852194

IUPAC5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
SMILESCCN(C(=O)CCCC(C)N)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-4-19(16(20)7-5-6-12(2)18)13(3)14-8-10-15(17)11-9-14/h8-13H,4-7,18H2,1-3H3
InChIKeyIAZGKLQWOXGVGE-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.25
Rot. Bonds7

About 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide

5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide (PubChem CID 82852194) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
PubChem CID82852194
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
SMILESCCN(C(=O)CCCC(C)N)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-4-19(16(20)7-5-6-12(2)18)13(3)14-8-10-15(17)11-9-14/h8-13H,4-7,18H2,1-3H3
InChIKeyIAZGKLQWOXGVGE-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 96533403
2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737208
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 104684492
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287578

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide?
The IUPAC name of 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide (CID 82852194) is 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide.
What is the SMILES notation for 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide?
The canonical SMILES for 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide is CCN(C(=O)CCCC(C)N)C(C)c1ccc(F)cc1.
What is the InChIKey of 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide?
The InChIKey is IAZGKLQWOXGVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-19(16(20)7-5-6-12(2)18)13(3)14-8-10-15(17)11-9-14/h8-13H,4-7,18H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide?
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide has a molecular weight of 280.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide is sourced from PubChem (CID 82852194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).