N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide

C22H29FN2O3 — CID 55965654

IUPACN-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C22H29FN2O3/c1-3-25(4-2)14-16-28-21-12-6-5-11-20(21)24-22(26)13-8-15-27-19-10-7-9-18(23)17-19/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,24,26)
InChIKeyDLUYEEOEGGDNSD-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.34
Rot. Bonds12

About N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide

N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide (PubChem CID 55965654) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide
PubChem CID55965654
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC NameN-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C22H29FN2O3/c1-3-25(4-2)14-16-28-21-12-6-5-11-20(21)24-22(26)13-8-15-27-19-10-7-9-18(23)17-19/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,24,26)
InChIKeyDLUYEEOEGGDNSD-UHFFFAOYSA-N
XLogP4.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide;dihydrochloride
CID 119841506
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
CID 55973897
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 55580634
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 55906665
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide
CID 55973632
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide (CID 55965654) is N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide is CCN(CC)CCOc1ccccc1NC(=O)CCCOc1cccc(F)c1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide?
The InChIKey is DLUYEEOEGGDNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-3-25(4-2)14-16-28-21-12-6-5-11-20(21)24-22(26)13-8-15-27-19-10-7-9-18(23)17-19/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide?
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide has a molecular weight of 388.48 g/mol, XLogP of 4.34, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide is sourced from PubChem (CID 55965654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).