N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide

C22H27FN2O3 — CID 108538670

IUPACN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O3/c1-15(2)18-6-10-20(11-7-18)28-16(3)22(27)25-13-12-24-21(26)14-17-4-8-19(23)9-5-17/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRLIFEAGTJIIKSD-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.19
Rot. Bonds9

About N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108538670) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108538670
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O3/c1-15(2)18-6-10-20(11-7-18)28-16(3)22(27)25-13-12-24-21(26)14-17-4-8-19(23)9-5-17/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRLIFEAGTJIIKSD-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541583
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108541576
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108538670) is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is RLIFEAGTJIIKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-15(2)18-6-10-20(11-7-18)28-16(3)22(27)25-13-12-24-21(26)14-17-4-8-19(23)9-5-17/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 386.47 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108538670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).