N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

C18H27FN2O3 — CID 110618521

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)CCOCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O3/c1-3-21(4-2)12-14-24-13-11-20-18(23)10-9-17(22)15-5-7-16(19)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyZEIFXHXHUQEVMD-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.26
Rot. Bonds12

About N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 110618521) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID110618521
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)CCOCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O3/c1-3-21(4-2)12-14-24-13-11-20-18(23)10-9-17(22)15-5-7-16(19)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyZEIFXHXHUQEVMD-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.26
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-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 21487435
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
CID 110618477
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
CID 110425742
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-methylsulfonylpropanamide
CID 110612720

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 110618521) is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is CCN(CC)CCOCCNC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is ZEIFXHXHUQEVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-3-21(4-2)12-14-24-13-11-20-18(23)10-9-17(22)15-5-7-16(19)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 338.42 g/mol, XLogP of 2.26, 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]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110618521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).