5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide

C14H21FN2O2 — CID 82851234

IUPAC5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
SMILESCCOc1cc(F)ccc1NC(=O)CCCC(C)N
InChIInChI=1S/C14H21FN2O2/c1-3-19-13-9-11(15)7-8-12(13)17-14(18)6-4-5-10(2)16/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyVRSZIUFOALBPFR-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.68
Rot. Bonds7

About 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide

5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide (PubChem CID 82851234) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
PubChem CID82851234
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
SMILESCCOc1cc(F)ccc1NC(=O)CCCC(C)N
InChIInChI=1S/C14H21FN2O2/c1-3-19-13-9-11(15)7-8-12(13)17-14(18)6-4-5-10(2)16/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyVRSZIUFOALBPFR-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
N-(2-ethoxy-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604524
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
CID 120561554
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 120561553

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide?
The IUPAC name of 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide (CID 82851234) is 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide.
What is the SMILES notation for 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide?
The canonical SMILES for 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide is CCOc1cc(F)ccc1NC(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide?
The InChIKey is VRSZIUFOALBPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-19-13-9-11(15)7-8-12(13)17-14(18)6-4-5-10(2)16/h7-10H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide?
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide has a molecular weight of 268.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide is sourced from PubChem (CID 82851234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).