N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide

C16H23FN2O2 — CID 113055720

IUPACN-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCN(CCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C16H23FN2O2/c1-3-4-16(21)18-10-12-19(13(2)20)11-9-14-5-7-15(17)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyXDPXWOGFZFIUPM-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.13
Rot. Bonds8

About N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide

N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide (PubChem CID 113055720) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
PubChem CID113055720
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCN(CCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C16H23FN2O2/c1-3-4-16(21)18-10-12-19(13(2)20)11-9-14-5-7-15(17)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyXDPXWOGFZFIUPM-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
CID 113056171
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate
CID 113055776
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 113121058
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055767
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113121090
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
CID 113054996
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 113164320

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide?
The IUPAC name of N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide (CID 113055720) is N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide?
The canonical SMILES for N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide is CCCC(=O)NCCN(CCc1ccc(F)cc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide?
The InChIKey is XDPXWOGFZFIUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-4-16(21)18-10-12-19(13(2)20)11-9-14-5-7-15(17)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide?
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide has a molecular weight of 294.37 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide is sourced from PubChem (CID 113055720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).