2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide

C17H25FN2O2 — CID 132650363

IUPAC2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
SMILESCCCC(=O)N(Cc1ccc(F)cc1)C(CC)C(=O)NCC
InChIInChI=1S/C17H25FN2O2/c1-4-7-16(21)20(15(5-2)17(22)19-6-3)12-13-8-10-14(18)11-9-13/h8-11,15H,4-7,12H2,1-3H3,(H,19,22)
InChIKeyXKOFQKPRDRHFRY-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.87
Rot. Bonds8

About 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide

2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide (PubChem CID 132650363) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
PubChem CID132650363
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
SMILESCCCC(=O)N(Cc1ccc(F)cc1)C(CC)C(=O)NCC
InChIInChI=1S/C17H25FN2O2/c1-4-7-16(21)20(15(5-2)17(22)19-6-3)12-13-8-10-14(18)11-9-13/h8-11,15H,4-7,12H2,1-3H3,(H,19,22)
InChIKeyXKOFQKPRDRHFRY-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide 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

2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132650769
(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576957
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 132672138
2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylbutanamide
CID 132668007
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132655627
2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657951
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
(2R)-2-[(4-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-propylbutanamide
CID 100577478
2-[benzyl(butanoyl)amino]-N-butylbutanamide
CID 132699427
N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 133172881
N-ethyl-2-[(4-fluorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]butanamide
CID 132669600
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 100582462

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide?
The IUPAC name of 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide (CID 132650363) is 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide?
The canonical SMILES for 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide is CCCC(=O)N(Cc1ccc(F)cc1)C(CC)C(=O)NCC.
What is the InChIKey of 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide?
The InChIKey is XKOFQKPRDRHFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-4-7-16(21)20(15(5-2)17(22)19-6-3)12-13-8-10-14(18)11-9-13/h8-11,15H,4-7,12H2,1-3H3,(H,19,22).
What are the key properties of 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide?
2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide has a molecular weight of 308.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 132650363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).