4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide

C14H21FN2O2 — CID 119274703

IUPAC4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
SMILESNCCCC(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c15-12-5-7-13(8-6-12)19-11-2-1-10-17-14(18)4-3-9-16/h5-8H,1-4,9-11,16H2,(H,17,18)
InChIKeyVLFSTBZGMNIWEC-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.84
Rot. Bonds9

About 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide

4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide (PubChem CID 119274703) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
PubChem CID119274703
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
SMILESNCCCC(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c15-12-5-7-13(8-6-12)19-11-2-1-10-17-14(18)4-3-9-16/h5-8H,1-4,9-11,16H2,(H,17,18)
InChIKeyVLFSTBZGMNIWEC-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.84
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

N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 32644530
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide?
The IUPAC name of 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide (CID 119274703) is 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide?
The canonical SMILES for 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide is NCCCC(=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide?
The InChIKey is VLFSTBZGMNIWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c15-12-5-7-13(8-6-12)19-11-2-1-10-17-14(18)4-3-9-16/h5-8H,1-4,9-11,16H2,(H,17,18).
What are the key properties of 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide?
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide has a molecular weight of 268.33 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide is sourced from PubChem (CID 119274703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).