N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide

C15H23FN2O3 — CID 103486787

IUPACN-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
SMILESCCOCC(C)OCCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O3/c1-3-20-10-11(2)21-8-4-5-15(19)18-12-6-7-13(16)14(17)9-12/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyAOSFDFHMAUMXAF-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.57
Rot. Bonds9

About N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide

N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide (PubChem CID 103486787) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
PubChem CID103486787
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC NameN-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
SMILESCCOCC(C)OCCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O3/c1-3-20-10-11(2)21-8-4-5-15(19)18-12-6-7-13(16)14(17)9-12/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyAOSFDFHMAUMXAF-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486961
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995533
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-fluorophenyl)-4-propan-2-ylsulfonylbutanamide
CID 60885575
N-(3-amino-4-fluorophenyl)-4-(3-methylbutan-2-ylsulfanyl)butanamide
CID 107748717
N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
CID 66322803
N-(3-amino-4-fluorophenyl)-4-ethylsulfinylbutanamide
CID 61303441

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide (CID 103486787) is N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide is CCOCC(C)OCCCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide?
The InChIKey is AOSFDFHMAUMXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-3-20-10-11(2)21-8-4-5-15(19)18-12-6-7-13(16)14(17)9-12/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide?
N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide has a molecular weight of 298.36 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide is sourced from PubChem (CID 103486787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).