4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide

C14H20FNO2 — CID 60724885

IUPAC4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-11(2)10-16-14(17)4-3-9-18-13-7-5-12(15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyNBMBXFSETXFKIM-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.76
Rot. Bonds7

About 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide

4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide (PubChem CID 60724885) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
PubChem CID60724885
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-11(2)10-16-14(17)4-3-9-18-13-7-5-12(15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyNBMBXFSETXFKIM-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide
CID 66177314
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074
2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate
CID 60724668
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide (CID 60724885) is 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide?
The InChIKey is NBMBXFSETXFKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(2)10-16-14(17)4-3-9-18-13-7-5-12(15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide?
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide has a molecular weight of 253.32 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 60724885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).