3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide

C22H27FN2O2 — CID 113120960

IUPAC3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCCc1ccccc1)CCc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-18(26)25(16-13-20-11-5-6-12-21(20)23)17-14-22(27)24-15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-17H2,1H3,(H,24,27)
InChIKeyYEWMVHCRFHYEJT-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.36
Rot. Bonds10

About 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide

3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide (PubChem CID 113120960) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
PubChem CID113120960
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCCc1ccccc1)CCc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-18(26)25(16-13-20-11-5-6-12-21(20)23)17-14-22(27)24-15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-17H2,1H3,(H,24,27)
InChIKeyYEWMVHCRFHYEJT-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)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

3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
CID 113119612
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113120928
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113120923
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113120936
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide
CID 113055638
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide (CID 113120960) is 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide is CC(=O)N(CCC(=O)NCCCc1ccccc1)CCc1ccccc1F.
What is the InChIKey of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide?
The InChIKey is YEWMVHCRFHYEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-18(26)25(16-13-20-11-5-6-12-21(20)23)17-14-22(27)24-15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-17H2,1H3,(H,24,27).
What are the key properties of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide?
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide has a molecular weight of 370.47 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 113120960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).