N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide

C20H23FN2O4 — CID 32945767

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4/c1-23(2)20(25)14-27-18-11-7-16(8-12-18)22-19(24)4-3-13-26-17-9-5-15(21)6-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyLJLOYWBPGHDZMF-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.09
Rot. Bonds9

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide (PubChem CID 32945767) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
PubChem CID32945767
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4/c1-23(2)20(25)14-27-18-11-7-16(8-12-18)22-19(24)4-3-13-26-17-9-5-15(21)6-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyLJLOYWBPGHDZMF-UHFFFAOYSA-N
XLogP3.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.09
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

4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32943275
4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
CID 39953910
2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4732952
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide
CID 47043097
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,3-dimethylbutanamide
CID 32943486
3-(4-fluorophenoxy)-N-(4-propylphenyl)propanamide
CID 112816800
4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
CID 19191108
methyl 2-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenoxy]acetate
CID 55708813

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide (CID 32945767) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide is CN(C)C(=O)COc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide?
The InChIKey is LJLOYWBPGHDZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-23(2)20(25)14-27-18-11-7-16(8-12-18)22-19(24)4-3-13-26-17-9-5-15(21)6-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide has a molecular weight of 374.41 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 32945767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).