N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide

C25H33FN2O2 — CID 132707568

IUPACN-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C25H33FN2O2/c1-4-6-17-27-25(30)19(3)28(18-22-11-14-23(26)15-12-22)24(29)16-13-21-9-7-20(5-2)8-10-21/h7-12,14-15,19H,4-6,13,16-18H2,1-3H3,(H,27,30)
InChIKeyLUVUJLSGLMZGAK-UHFFFAOYSA-N
MW412.55 g/mol
LogP4.65
Rot. Bonds11

About N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide

N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide (PubChem CID 132707568) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
PubChem CID132707568
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC NameN-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C25H33FN2O2/c1-4-6-17-27-25(30)19(3)28(18-22-11-14-23(26)15-12-22)24(29)16-13-21-9-7-20(5-2)8-10-21/h7-12,14-15,19H,4-6,13,16-18H2,1-3H3,(H,27,30)
InChIKeyLUVUJLSGLMZGAK-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132655600
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
N-butyl-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 133149662
(2R)-N-[(2S)-butan-2-yl]-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574041
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132668005
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
CID 132706662
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-pentylpropanamide
CID 133149701
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132664191
2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 133152094
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133149574
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 132703411

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide?
The IUPAC name of N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide (CID 132707568) is N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide is CCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1.
What is the InChIKey of N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide?
The InChIKey is LUVUJLSGLMZGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O2/c1-4-6-17-27-25(30)19(3)28(18-22-11-14-23(26)15-12-22)24(29)16-13-21-9-7-20(5-2)8-10-21/h7-12,14-15,19H,4-6,13,16-18H2,1-3H3,(H,27,30).
What are the key properties of N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide?
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide has a molecular weight of 412.55 g/mol, XLogP of 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide is sourced from PubChem (CID 132707568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).