N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide

C15H22FNO2 — CID 86909745

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-3-4-5-6-15(18)17(2)11-12-19-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyMRTSILVEEGVIEI-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide

N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide (PubChem CID 86909745) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
PubChem CID86909745
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-3-4-5-6-15(18)17(2)11-12-19-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyMRTSILVEEGVIEI-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 78848365
3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31949594
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide (CID 86909745) is N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide is CCCCCC(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide?
The InChIKey is MRTSILVEEGVIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-4-5-6-15(18)17(2)11-12-19-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide?
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide has a molecular weight of 267.34 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide is sourced from PubChem (CID 86909745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).